2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8014-9989 |
| Compound Name: | 2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 358.38 |
| Molecular Formula: | C15 H14 N6 O3 S |
| Smiles: | Cc1cc(C)n2c(n1)nc(n2)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9569 |
| logD: | 1.9554 |
| logSw: | -2.7602 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.811 |
| InChI Key: | BOVCVAIGCSYDQY-UHFFFAOYSA-N |