2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide
2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C592-3785 |
| Compound Name: | 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 402.48 |
| Molecular Formula: | C21 H18 N6 O S |
| Smiles: | C(c1cccnc1)NC(CSc1nnc(c2cccnc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.639 |
| logD: | 1.6348 |
| logSw: | -1.7075 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.22 |
| InChI Key: | YJMISNIHLKUYQM-UHFFFAOYSA-N |