N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-propoxybenzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-propoxybenzamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-propoxybenzamide
Compound characteristics
| Compound ID: | F938-0444 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-propoxybenzamide |
| Molecular Weight: | 447.35 |
| Molecular Formula: | C19 H19 Br N4 O2 S |
| Smiles: | CCCOc1ccc(cc1)C(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5566 |
| logD: | 4.5566 |
| logSw: | -4.2864 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.404 |
| InChI Key: | BCVXDPXEMSHUEP-UHFFFAOYSA-N |