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