N-(3-chloro-4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
N-(3-chloro-4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | M031-0158 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide |
| Molecular Weight: | 330.75 |
| Molecular Formula: | C16 H12 Cl F N4 O |
| Smiles: | C(c1ccc(cc1)C(Nc1ccc(c(c1)[Cl])F)=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 2.5959 |
| logD: | 2.3115 |
| logSw: | -3.5919 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.306 |
| InChI Key: | MECPOBKCGQXIPV-UHFFFAOYSA-N |