N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-ethoxybenzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-ethoxybenzamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-ethoxybenzamide
Compound characteristics
| Compound ID: | L150-0172 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-ethoxybenzamide |
| Molecular Weight: | 433.32 |
| Molecular Formula: | C18 H17 Br N4 O2 S |
| Smiles: | CCOc1ccccc1C(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8762 |
| logD: | 3.8761 |
| logSw: | -3.9862 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.196 |
| InChI Key: | VBAVWJUZGOIOKS-UHFFFAOYSA-N |