N-(4-acetamidophenyl)-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-(4-acetamidophenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(4-acetamidophenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6797 |
| Compound Name: | N-(4-acetamidophenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 434.48 |
| Molecular Formula: | C21 H18 N6 O3 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSc1nnc2NC(C=C(c3ccccc3)n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8024 |
| logD: | 1.7955 |
| logSw: | -2.2512 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.246 |
| InChI Key: | BXUQAVDQAPYFNB-UHFFFAOYSA-N |