N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)benzamide
N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | L150-0629 |
| Compound Name: | N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 479.4 |
| Molecular Formula: | C23 H19 Br N4 O S |
| Smiles: | C(Cn1c(nc(n1)[Br])Sc1ccccc1NC(c1ccccc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3063 |
| logD: | 5.3063 |
| logSw: | -5.5771 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.407 |
| InChI Key: | XQAIYIUDPQDTSK-UHFFFAOYSA-N |