methyl 4-(4-bromo-5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Chemical Structure Depiction of
methyl 4-(4-bromo-5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Available: 14 mg
Amount:
mg
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Compound characteristics

Compound ID: 3830-0815
Compound Name: methyl 4-(4-bromo-5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Molecular Weight: 438.38
Molecular Formula: C20 H24 Br N O3 S
Smiles: CCc1c(cc(C2C(=C(C)NC3CC(C)(C)CC(C2=3)=O)C(=O)OC)s1)[Br]
Stereo: RACEMIC MIXTURE
logP: 4.8337
logD: 0.3941
logSw: -4.6074
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 46.113
InChI Key: YPKVRULXYTYEPA-SFHVURJKSA-N
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