N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide
Compound characteristics
| Compound ID: | F938-0160 |
| Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide |
| Molecular Weight: | 403.3 |
| Molecular Formula: | C17 H15 Br N4 O S |
| Smiles: | CC(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2118 |
| logD: | 3.2118 |
| logSw: | -3.2742 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.599 |
| InChI Key: | NXOSCUSJIOPHCI-UHFFFAOYSA-N |