N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}benzamide
N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | F938-0447 |
| Compound Name: | N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 403.3 |
| Molecular Formula: | C17 H15 Br N4 O S |
| Smiles: | CCn1c(nc(n1)[Br])Sc1ccccc1NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9027 |
| logD: | 3.9027 |
| logSw: | -3.9237 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.425 |
| InChI Key: | CUTOBRRPTVCTDC-UHFFFAOYSA-N |