4-tert-butyl-N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]benzamide
4-tert-butyl-N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | F938-0206 |
| Compound Name: | 4-tert-butyl-N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 491.05 |
| Molecular Formula: | C27 H27 Cl N4 O S |
| Smiles: | Cc1ccc(Cn2c(nc(n2)[Cl])Sc2ccccc2NC(c2ccc(cc2)C(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.2728 |
| logD: | 7.2728 |
| logSw: | -6.3474 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.462 |
| InChI Key: | OSBSYKUHMTZASR-UHFFFAOYSA-N |