N-(2,4-dimethoxyphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(2,4-dimethoxyphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | G856-6785 |
Compound Name: | N-(2,4-dimethoxyphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
Molecular Weight: | 437.48 |
Molecular Formula: | C21 H19 N5 O4 S |
Smiles: | COc1ccc(c(c1)OC)NC(CSc1nnc2NC(C=C(c3ccccc3)n12)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.3464 |
logD: | 2.3395 |
logSw: | -3.0359 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.46 |
InChI Key: | YZZLRHOYSLSVMK-UHFFFAOYSA-N |