AC1MDPGH

dimethyl 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Also Known As: CBMicro_016854|Propanethioamide, N-methyl-N-phenyl-|CCG-5758|BAS 00268293|Propanethioamide, N-methyl-N-phenyl-|BIM-0016768.P001|dimethyl 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|Dimethyl 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate|DIMETHYL 2-[1-(3-FLUOROBENZOYL)-6-METHOXY-2,2-DIMETHYL-3-THIOXO-2,3-DIHYDRO-4(1H)-QUINOLINYLIDEN]-1,3-DITHIOLE-4,5-DICARBOXYLATE|dimethyl 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-{1-[(3-fluorophenyl)carbonyl]-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate|methyl 2-{1-[(3-fluorophenyl)carbonyl]-6-methoxy-2,2-dimethyl-3-thioxo(4-1,2-d ihydroquinolylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate

Molecular Formula	C26H22FNO6S3
Molecular Weight	559.0593 g/mol
LogP	5.3494
Topological Polar Surface Area	82.14 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	559.0593
Monoisotopic Mass	559.0593
Heavy Atoms	37
Complexity	1384.7721

Chemical Identifiers

CAS Number	5310-08-7
SMILES	CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC(=CC=C4)F)C=CC(=C3)OC)C