AC1MDNHE

dimethyl 2-[1-(2-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Also Known As: BAS 00364146|UPCMLD0ENAT0501-8179:001|AG-690/36470009|dimethyl 2-[1-(2-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate|4,5-DIMETHYL 2-[1-(2-FLUOROBENZOYL)-2,2-DIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE|dimethyl 2-(1-(2-fluorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(1-(2-fluorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-{1-[(2-fluorophenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Molecular Formula	C25H20FNO5S3
Molecular Weight	529.04877 g/mol
LogP	5.3408
Topological Polar Surface Area	72.91 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	529.04877
Monoisotopic Mass	529.04877
Heavy Atoms	35
Complexity	1318.1176

Chemical Identifiers

CAS Number	307339-95-3
SMILES	CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC=CC=C4F)C