AC1NQWOX

methyl 2-[(6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate

Also Known As: Oprea1_079086|KS-00003S5T|SS-0804|methyl 2-{[6-(tert-butyl)-3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydro-2-quinolinyl]sulfanyl}acetate|methyl 2-[(6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate|methyl 2-{[6-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate|methyl 2-[6-(tert-butyl)-3-cyano-4-(2-thienyl)-2-5,6,7,8-tetrahydroquinolylthi o]acetate|Methyl 2-[(3-cyano-6-tert-butyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate|methyl2-{[6-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate

Molecular Formula	C21H24N2O2S2
Molecular Weight	400.12793 g/mol
LogP	5.09788
Topological Polar Surface Area	62.98 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	400.12793
Monoisotopic Mass	400.12793
Heavy Atoms	27
Complexity	877.0622

Chemical Identifiers

CAS Number	340807-83-2
SMILES	CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OC)C#N)C3=CC=CS3