4-tert-butyl-N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)benzamide
4-tert-butyl-N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | L150-0217 |
| Compound Name: | 4-tert-butyl-N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 491.05 |
| Molecular Formula: | C27 H27 Cl N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1ccccc1Sc1nc(nn1CCc1ccccc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.0785 |
| logD: | 7.0785 |
| logSw: | -6.2555 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.441 |
| InChI Key: | UTIIWOIJSLSKAT-UHFFFAOYSA-N |