N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V005-0112 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide |
| Molecular Weight: | 496.92 |
| Molecular Formula: | C25 H22 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(c1cc(ccc1[Cl])F)=O)c1c(cccn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9927 |
| logD: | 3.9923 |
| logSw: | -4.4796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.657 |
| InChI Key: | ONOLIRBXIJYZGH-UHFFFAOYSA-N |