2-(2-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-(2-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-nitrophenyl)acetamide
2-(2-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y021-2915 |
| Compound Name: | 2-(2-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 472.91 |
| Molecular Formula: | C20 H17 Cl N6 O4 S |
| Smiles: | C(C1Cn2c(NC1=O)nc(n2)SCc1ccccc1[Cl])C(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4054 |
| logD: | 3.3902 |
| logSw: | -3.7261 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.354 |
| InChI Key: | ANZZQSWIZSHWIG-CYBMUJFWSA-N |