N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-tert-butylbenzamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-tert-butylbenzamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | C301-9423 |
| Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-tert-butylbenzamide |
| Molecular Weight: | 477.03 |
| Molecular Formula: | C26 H25 Cl N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.8494 |
| logD: | 6.8494 |
| logSw: | -6.2762 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.462 |
| InChI Key: | BHQVYVJIWKGUHX-UHFFFAOYSA-N |