ethyl 1-{[4-(butylcarbamoyl)phenyl]methyl}-4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{[4-(butylcarbamoyl)phenyl]methyl}-4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
ethyl 1-{[4-(butylcarbamoyl)phenyl]methyl}-4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | V028-0848 |
| Compound Name: | ethyl 1-{[4-(butylcarbamoyl)phenyl]methyl}-4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 466.55 |
| Molecular Formula: | C27 H31 F N2 O4 |
| Smiles: | CCCCNC(c1ccc(CN2C(C)=C(C(CC2=O)c2ccccc2F)C(=O)OCC)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4634 |
| logD: | 4.4634 |
| logSw: | -4.1438 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.128 |
| InChI Key: | CNICRHTZJAPVMH-QFIPXVFZSA-N |