2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3855 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 345.81 |
| Molecular Formula: | C15 H12 Cl N5 O S |
| Smiles: | C(C(N)=O)Sc1nnc(c2cccnc2)n1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.7406 |
| logD: | 1.7364 |
| logSw: | -2.4991 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.89 |
| InChI Key: | POJNXEPVMMHOEO-UHFFFAOYSA-N |