N-(4-bromo-3-methylphenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
N-(4-bromo-3-methylphenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | M031-0130 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide |
| Molecular Weight: | 371.23 |
| Molecular Formula: | C17 H15 Br N4 O |
| Smiles: | Cc1cc(ccc1[Br])NC(c1ccc(Cn2cncn2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0403 |
| logD: | 3.0368 |
| logSw: | -3.069 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.306 |
| InChI Key: | QCLFVXUXDRWQDV-UHFFFAOYSA-N |