N-[(4-methylphenyl)methyl]-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-methylphenyl)methyl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-[(4-methylphenyl)methyl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6812 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | Cc1ccc(CNC(CSc2nnc3NC(C=C(c4ccccc4)n23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7059 |
| logD: | 2.699 |
| logSw: | -3.0899 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.306 |
| InChI Key: | FBNWSVVTGBNEEM-UHFFFAOYSA-N |