tert-butyl 4-(3-chlorophenyl)-1-[(3-cyanophenyl)methyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(3-chlorophenyl)-1-[(3-cyanophenyl)methyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
tert-butyl 4-(3-chlorophenyl)-1-[(3-cyanophenyl)methyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | V005-8989 |
| Compound Name: | tert-butyl 4-(3-chlorophenyl)-1-[(3-cyanophenyl)methyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 436.94 |
| Molecular Formula: | C25 H25 Cl N2 O3 |
| Smiles: | CC1=C(C(CC(N1Cc1cccc(C#N)c1)=O)c1cccc(c1)[Cl])C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9771 |
| logD: | 4.9771 |
| logSw: | -5.2035 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.768 |
| InChI Key: | GQKNKGYIRFAEPF-NRFANRHFSA-N |