N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-ethoxybenzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-ethoxybenzamide
N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-ethoxybenzamide
Compound characteristics
| Compound ID: | F938-0461 |
| Compound Name: | N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-ethoxybenzamide |
| Molecular Weight: | 447.35 |
| Molecular Formula: | C19 H19 Br N4 O2 S |
| Smiles: | CCn1c(nc(n1)[Br])Sc1ccccc1NC(c1ccccc1OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2866 |
| logD: | 4.2866 |
| logSw: | -4.3084 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.635 |
| InChI Key: | JAGWNUGBCXWODO-UHFFFAOYSA-N |