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
Available: 108 mg
Amount:
mg
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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
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