N-[(4-methylphenyl)methyl]-3-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-3-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
N-[(4-methylphenyl)methyl]-3-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | M032-0068 |
| Compound Name: | N-[(4-methylphenyl)methyl]-3-[(1H-1,2,4-triazol-1-yl)methyl]benzamide |
| Molecular Weight: | 306.37 |
| Molecular Formula: | C18 H18 N4 O |
| Smiles: | Cc1ccc(CNC(c2cccc(Cn3cncn3)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9694 |
| logD: | 1.9693 |
| logSw: | -2.3585 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.629 |
| InChI Key: | LBWCQNUELBRYNH-UHFFFAOYSA-N |