2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | V005-9765 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide |
| Molecular Weight: | 446.97 |
| Molecular Formula: | C22 H24 Cl F N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)N(C(C)C)C(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7802 |
| logD: | 4.7801 |
| logSw: | -4.8458 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.234 |
| InChI Key: | PYIAWYYUOIUELK-UHFFFAOYSA-N |