ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | K060-0114 |
Compound Name: | ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 384.43 |
Molecular Formula: | C21 H24 N2 O5 |
Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7503 |
logD: | -0.5369 |
logSw: | -4.1035 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.056 |
InChI Key: | WVIDZHCBPBZVDK-SFHVURJKSA-N |