N-(4-cyanophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
N-(4-cyanophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | M031-0126 |
| Compound Name: | N-(4-cyanophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C17 H13 N5 O |
| Smiles: | C(c1ccc(cc1)C(Nc1ccc(C#N)cc1)=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 1.5202 |
| logD: | 1.5057 |
| logSw: | -2.0798 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.363 |
| InChI Key: | IBRIYPOAUKTPJF-UHFFFAOYSA-N |