3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide
Chemical Structure Depiction of
3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide
3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide
Compound characteristics
| Compound ID: | M346-0163 |
| Compound Name: | 3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C17 H13 N5 O |
| Smiles: | C(c1ccc(cc1)NC(c1cccc(C#N)c1)=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 1.4869 |
| logD: | 1.4857 |
| logSw: | -2.0367 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.363 |
| InChI Key: | ISSQFYJXNKTNIF-UHFFFAOYSA-N |