ethyl 4-(2-fluorophenyl)-2-methyl-1-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-fluorophenyl)-2-methyl-1-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
ethyl 4-(2-fluorophenyl)-2-methyl-1-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | V028-2082 |
| Compound Name: | ethyl 4-(2-fluorophenyl)-2-methyl-1-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 600.65 |
| Molecular Formula: | C33 H33 F N4 O6 |
| Smiles: | CCOC(C1C(CC(N(Cc2ccc(cc2)C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)C=1C)=O)c1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7485 |
| logD: | 4.7485 |
| logSw: | -4.4461 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.892 |
| InChI Key: | OPBIYLPHJRAWCX-NDEPHWFRSA-N |