N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}propanamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}propanamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}propanamide
Compound characteristics
| Compound ID: | F938-0161 |
| Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}propanamide |
| Molecular Weight: | 417.33 |
| Molecular Formula: | C18 H17 Br N4 O S |
| Smiles: | CCC(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.862 |
| logD: | 3.862 |
| logSw: | -3.8734 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.486 |
| InChI Key: | YXLJGNQSJWHDKQ-UHFFFAOYSA-N |