N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,4-dimethoxybenzamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | L150-0180 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 449.32 |
| Molecular Formula: | C18 H17 Br N4 O3 S |
| Smiles: | Cn1c(nc(n1)[Br])Sc1ccccc1NC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2215 |
| logD: | 3.2215 |
| logSw: | -3.7165 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.247 |
| InChI Key: | QWDNBGCIYRDEAL-UHFFFAOYSA-N |