2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | G731-0152 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide |
| Molecular Weight: | 412.9 |
| Molecular Formula: | C19 H17 Cl N6 O S |
| Smiles: | Cn1c2ccccc2nc1CNC(CSc1nnc(c2ccccc2[Cl])[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6705 |
| logD: | 1.4788 |
| logSw: | -3.6473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.932 |
| InChI Key: | CTXJWGVODCBQCL-UHFFFAOYSA-N |