N-(1H-benzimidazol-2-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1H-benzimidazol-2-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(1H-benzimidazol-2-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D489-0621 |
| Compound Name: | N-(1H-benzimidazol-2-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C25 H22 N6 O S |
| Smiles: | Cc1ccc(cc1C)c1nnc(n1c1ccccc1)SCC(Nc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0042 |
| logD: | 5.0042 |
| logSw: | -4.6186 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.287 |
| InChI Key: | DRQTXOHOWLNREG-UHFFFAOYSA-N |