N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-methylbenzamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-methylbenzamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-methylbenzamide
Compound characteristics
| Compound ID: | F938-0148 |
| Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-methylbenzamide |
| Molecular Weight: | 479.4 |
| Molecular Formula: | C23 H19 Br N4 O S |
| Smiles: | Cc1ccccc1C(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4012 |
| logD: | 5.4012 |
| logSw: | -5.3731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.428 |
| InChI Key: | ZIQTVJDBKRKUIP-UHFFFAOYSA-N |