4-(5-tert-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
4-(5-tert-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4-(5-tert-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
Compound ID: | 4023-0927 |
Compound Name: | 4-(5-tert-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
Molecular Weight: | 516.63 |
Molecular Formula: | C28 H31 F3 N2 O2 S |
Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(C(C)(C)C)s1)C(Nc1cccc(c1)C(F)(F)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 7.0724 |
logD: | 4.9785 |
logSw: | -5.7709 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 48.031 |
InChI Key: | MYNKFCVYOUFILL-DEOSSOPVSA-N |