2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D489-0613 |
| Compound Name: | 2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 435.57 |
| Molecular Formula: | C22 H21 N5 O S2 |
| Smiles: | Cc1ccc(cc1C)c1nnc(n1c1ccccc1)SCC(Nc1nc(C)cs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2092 |
| logD: | 5.2042 |
| logSw: | -4.9744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.715 |
| InChI Key: | RBOQFIUKYVELEQ-UHFFFAOYSA-N |