pentyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
pentyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
pentyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | 1630-0170 |
Compound Name: | pentyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 426.51 |
Molecular Formula: | C24 H30 N2 O5 |
Smiles: | CCCCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.2852 |
logD: | 0.998 |
logSw: | -5.0624 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.351 |
InChI Key: | IIXJJKCWSWJSCF-NRFANRHFSA-N |