2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | G856-7828 |
| Compound Name: | 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide |
| Molecular Weight: | 423.92 |
| Molecular Formula: | C21 H18 Cl N5 O S |
| Smiles: | C(c1ccccc1)c1nnc(n1n1cccc1)SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6446 |
| logD: | 3.6444 |
| logSw: | -3.8507 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.574 |
| InChI Key: | QEFVLCFFFDZTIW-UHFFFAOYSA-N |