ethyl 4-(5-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(5-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-(5-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | 3828-0425 |
Compound Name: | ethyl 4-(5-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 401.57 |
Molecular Formula: | C23 H31 N O3 S |
Smiles: | CCCCc1ccc(C2C(=C(C)NC3CC(C)(C)CC(C2=3)=O)C(=O)OCC)s1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.5017 |
logD: | 1.0621 |
logSw: | -5.2843 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.693 |
InChI Key: | BHSJCWNETAGALB-NRFANRHFSA-N |