4-chloro-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide
4-chloro-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide
Compound characteristics
| Compound ID: | M346-0113 |
| Compound Name: | 4-chloro-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide |
| Molecular Weight: | 312.76 |
| Molecular Formula: | C16 H13 Cl N4 O |
| Smiles: | C(c1ccc(cc1)NC(c1ccc(cc1)[Cl])=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4605 |
| logD: | 2.4597 |
| logSw: | -3.3897 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.306 |
| InChI Key: | QABARQQPRWUHCI-UHFFFAOYSA-N |