N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
Compound characteristics
| Compound ID: | F938-0159 |
| Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide |
| Molecular Weight: | 431.35 |
| Molecular Formula: | C19 H19 Br N4 O S |
| Smiles: | CCCC(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3392 |
| logD: | 4.3392 |
| logSw: | -4.207 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.486 |
| InChI Key: | QXYZWPMJTXPAOK-UHFFFAOYSA-N |