4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 1834-0006 |
| Compound Name: | 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 335.45 |
| Molecular Formula: | C21 H25 N3 O |
| Smiles: | CC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)N(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3291 |
| logD: | 0.4282 |
| logSw: | -3.5376 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.782 |
| InChI Key: | BEXNDNPDIUTLCK-LJQANCHMSA-N |