N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}cyclohexanecarboxamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}cyclohexanecarboxamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}cyclohexanecarboxamide
Compound characteristics
| Compound ID: | L150-0325 |
| Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}cyclohexanecarboxamide |
| Molecular Weight: | 471.42 |
| Molecular Formula: | C22 H23 Br N4 O S |
| Smiles: | C1CCC(CC1)C(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3861 |
| logD: | 5.3861 |
| logSw: | -5.471 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.62 |
| InChI Key: | ZCTKXMVMBNRIFO-UHFFFAOYSA-N |