N-{2-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-4-cyanobenzamide
Chemical Structure Depiction of
N-{2-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-4-cyanobenzamide
N-{2-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-4-cyanobenzamide
Compound characteristics
| Compound ID: | G717-1504 |
| Compound Name: | N-{2-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-4-cyanobenzamide |
| Molecular Weight: | 351.79 |
| Molecular Formula: | C18 H14 Cl N5 O |
| Smiles: | C(CNC(c1ccc(C#N)cc1)=O)c1nc(c2ccc(cc2)[Cl])[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8608 |
| logD: | 2.8483 |
| logSw: | -3.703 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.325 |
| InChI Key: | PTENSYJYYFZCQO-UHFFFAOYSA-N |