2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | D489-1021 |
| Compound Name: | 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C23 H28 N4 O S |
| Smiles: | CC(C)N(C(C)C)C(CSc1nnc(c2ccc(C)cc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8968 |
| logD: | 4.8968 |
| logSw: | -4.6122 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.535 |
| InChI Key: | LANABNZUZNOXOZ-UHFFFAOYSA-N |