propan-2-yl 1-[(3-cyanophenyl)methyl]-2-methyl-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-[(3-cyanophenyl)methyl]-2-methyl-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
propan-2-yl 1-[(3-cyanophenyl)methyl]-2-methyl-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | V016-9775 |
| Compound Name: | propan-2-yl 1-[(3-cyanophenyl)methyl]-2-methyl-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C25 H26 N2 O3 |
| Smiles: | CC(C)OC(C1C(CC(N(Cc2cccc(C#N)c2)C=1C)=O)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3888 |
| logD: | 4.3888 |
| logSw: | -4.3563 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.337 |
| InChI Key: | TZDSNUBXABIXDB-JOCHJYFZSA-N |