2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8012-6811 |
| Compound Name: | 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 371.37 |
| Molecular Formula: | C15 H13 N7 O3 S |
| Smiles: | C(C(Nc1cccc(c1)[N+]([O-])=O)=O)Sc1nnc(c2cccnc2)n1N |
| Stereo: | ACHIRAL |
| logP: | 1.1416 |
| logD: | 1.134 |
| logSw: | -1.9719 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.188 |
| InChI Key: | DJLAJWUVGLMGCG-UHFFFAOYSA-N |