methyl 4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Chemical Structure Depiction of
methyl 4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Available: 20 mg
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mg
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Compound characteristics

Compound ID: Y501-3741
Compound Name: methyl 4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Molecular Weight: 504.02
Molecular Formula: C26 H27 Cl F N O4 S
Smiles: CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc(COc2ccc(cc2[Cl])F)c(C)s1)C(=O)OC
Stereo: RACEMIC MIXTURE
logP: 5.6592
logD: 1.2196
logSw: -5.9818
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 1
Polar surface area: 53.428
InChI Key: XXBRNBCKXNPGMG-DEOSSOPVSA-N
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