N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}benzamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | L150-0126 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 389.27 |
| Molecular Formula: | C16 H13 Br N4 O S |
| Smiles: | Cn1c(nc(n1)[Br])Sc1ccccc1NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4922 |
| logD: | 3.4922 |
| logSw: | -3.7831 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.986 |
| InChI Key: | XMHYBBONQJZYEA-UHFFFAOYSA-N |