N-(4-cyanophenyl)-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
N-(4-cyanophenyl)-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F424-0503 |
Compound Name: | N-(4-cyanophenyl)-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide |
Molecular Weight: | 462.49 |
Molecular Formula: | C22 H18 N6 O4 S |
Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCC(Nc1ccc(C#N)cc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.6418 |
logD: | 2.6403 |
logSw: | -3.2164 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 106.781 |
InChI Key: | GQEZGIXKOANSLD-UHFFFAOYSA-N |