2-phenylethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | 3542-5604 |
Compound Name: | 2-phenylethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 458.6 |
Molecular Formula: | C29 H34 N2 O3 |
Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)N(C)C)C(=O)OCCc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.4222 |
logD: | 1.1351 |
logSw: | -5.5143 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.502 |
InChI Key: | BCKHTYRGNANSPX-SANMLTNESA-N |