benzyl 1-[(3-chlorophenyl)methyl]-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
benzyl 1-[(3-chlorophenyl)methyl]-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
benzyl 1-[(3-chlorophenyl)methyl]-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | V012-3730 |
| Compound Name: | benzyl 1-[(3-chlorophenyl)methyl]-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 513.94 |
| Molecular Formula: | C28 H23 Cl F3 N O3 |
| Smiles: | CC1=C(C(CC(N1Cc1cccc(c1)[Cl])=O)c1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5475 |
| logD: | 6.5475 |
| logSw: | -6.3489 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.706 |
| InChI Key: | AGBYERCHFSNSBA-XMMPIXPASA-N |