2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
Compound characteristics
Compound ID: | C592-3779 |
Compound Name: | 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide |
Molecular Weight: | 463 |
Molecular Formula: | C25 H23 Cl N4 O S |
Smiles: | CC(C)N(C(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 5.4282 |
logD: | 5.4282 |
logSw: | -5.7795 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.931 |
InChI Key: | KFKATIYAHSJIME-UHFFFAOYSA-N |