N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0064 |
| Compound Name: | N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 487.95 |
| Molecular Formula: | C25 H22 Cl N7 O2 |
| Smiles: | C1CN(CCN1C(c1ccccc1)=O)c1ccc(cc1[Cl])NC(c1cccc(n1)n1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5625 |
| logD: | 3.5546 |
| logSw: | -4.015 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.048 |
| InChI Key: | AXZUGNJTTXOYOE-UHFFFAOYSA-N |