N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,4,5-trimethoxybenzamide
N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | F938-0479 |
| Compound Name: | N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 493.38 |
| Molecular Formula: | C20 H21 Br N4 O4 S |
| Smiles: | CCn1c(nc(n1)[Br])Sc1ccccc1NC(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7885 |
| logD: | 3.7885 |
| logSw: | -3.9796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.403 |
| InChI Key: | PTMSUIUMVPRTQN-UHFFFAOYSA-N |