N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity
Тип публикации: Journal Article
Дата публикации: 2021-11-01
scimago Q4
wos Q4
БС2
SJR: 0.179
CiteScore: 1.4
Impact factor: 0.8
ISSN: 10703632, 16083350
PubMed ID:
34934303
General Chemistry
Краткое описание
The spectral characteristics of dithiomalondianilide (N,N′-diphenyldithiomalonodiamide) were studied, and the dissociation constant was determined by potentiometric titration. Quantum-chemical methods at the B3LYP-D3BJ/6-311+G (2d,p) level were used to calculate the molecular geometry and vibrational spectra of the most stable tautomeric forms of dithiomalondianilide. The bioavailability parameters were calculated, and possible protein targets were predicted by the protein ligand docking method.
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11
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11
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(36.36%)
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Sinotsko A. E. et al. N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity // Russian Journal of General Chemistry. 2021. Vol. 91. No. 11. pp. 2136-2150.
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Sinotsko A. E., Bespalov A. V., Pashchevskaya N. V., Dotsenko V. V., Aksenov N. A., Aksenova I. V. N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity // Russian Journal of General Chemistry. 2021. Vol. 91. No. 11. pp. 2136-2150.
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TY - JOUR
DO - 10.1134/s1070363221110037
UR - https://doi.org/10.1134/s1070363221110037
TI - N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity
T2 - Russian Journal of General Chemistry
AU - Sinotsko, A E
AU - Bespalov, A V
AU - Pashchevskaya, N V
AU - Dotsenko, Viktor V
AU - Aksenov, Nicolai A.
AU - Aksenova, Inna V.
PY - 2021
DA - 2021/11/01
PB - Pleiades Publishing
SP - 2136-2150
IS - 11
VL - 91
PMID - 34934303
SN - 1070-3632
SN - 1608-3350
ER -
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@article{2021_Sinotsko,
author = {A E Sinotsko and A V Bespalov and N V Pashchevskaya and Viktor V Dotsenko and Nicolai A. Aksenov and Inna V. Aksenova},
title = {N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity},
journal = {Russian Journal of General Chemistry},
year = {2021},
volume = {91},
publisher = {Pleiades Publishing},
month = {nov},
url = {https://doi.org/10.1134/s1070363221110037},
number = {11},
pages = {2136--2150},
doi = {10.1134/s1070363221110037}
}
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MLA
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Sinotsko, A. E., et al. “N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity.” Russian Journal of General Chemistry, vol. 91, no. 11, Nov. 2021, pp. 2136-2150. https://doi.org/10.1134/s1070363221110037.