2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dimethylphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dimethylphenyl)ethan-1-one
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dimethylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8008-8050 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dimethylphenyl)ethan-1-one |
| Molecular Weight: | 433.96 |
| Molecular Formula: | C24 H20 Cl N3 O S |
| Smiles: | Cc1ccc(C(CSc2nnc(c3ccccc3[Cl])n2c2ccccc2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1443 |
| logD: | 6.1443 |
| logSw: | -5.9189 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.959 |
| InChI Key: | RBKVTVWBRNDVEY-UHFFFAOYSA-N |