ethyl 2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
ethyl 2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | V014-5556 |
| Compound Name: | ethyl 2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 462.42 |
| Molecular Formula: | C23 H21 F3 N2 O5 |
| Smiles: | CCOC(C1C(CC(N(Cc2cccc(c2)[N+]([O-])=O)C=1C)=O)c1ccccc1C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7336 |
| logD: | 4.7336 |
| logSw: | -4.6526 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.983 |
| InChI Key: | KHAICTNHEZNBCY-SFHVURJKSA-N |