N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-chlorobenzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-chlorobenzamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-chlorobenzamide
Compound characteristics
| Compound ID: | L150-0179 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-chlorobenzamide |
| Molecular Weight: | 423.72 |
| Molecular Formula: | C16 H12 Br Cl N4 O S |
| Smiles: | Cn1c(nc(n1)[Br])Sc1ccccc1NC(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0524 |
| logD: | 4.0524 |
| logSw: | -4.2899 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.986 |
| InChI Key: | GUWIRAHJUBBJTC-UHFFFAOYSA-N |