2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Compound characteristics
Compound ID: | C592-3809 |
Compound Name: | 2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide |
Molecular Weight: | 493.42 |
Molecular Formula: | C24 H21 Br N4 O S |
Smiles: | Cc1cccc(c1C)NC(CSc1nnc(c2ccccc2[Br])n1c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.381 |
logD: | 5.381 |
logSw: | -5.3814 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.164 |
InChI Key: | SHGPWGWRJMJMAI-UHFFFAOYSA-N |