2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K822-0239 |
| Compound Name: | 2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C23 H21 N5 O2 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(c2cccnc2)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4953 |
| logD: | 3.4658 |
| logSw: | -3.5154 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.18 |
| InChI Key: | HMPMXRWESNIDBX-UHFFFAOYSA-N |