N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-methoxybenzamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | L150-0176 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-methoxybenzamide |
| Molecular Weight: | 419.3 |
| Molecular Formula: | C17 H15 Br N4 O2 S |
| Smiles: | Cn1c(nc(n1)[Br])Sc1ccccc1NC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5797 |
| logD: | 3.5797 |
| logSw: | -3.8491 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.53 |
| InChI Key: | CAJAQQYPGFGRMI-UHFFFAOYSA-N |