AC1MJGP5

dimethyl 2-(1-benzoyl-2,2,6,7-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Also Known As: BAS 00584680|AG-690/37029023|dimethyl 2-(1-benzoyl-2,2,6,7-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(1-benzoyl-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(1-benzoyl-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-[2,2,6,7-tetramethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate|methyl 5-(methoxycarbonyl)-2-[2,2,6,7-tetramethyl-1-(phenylcarbonyl)-3-thioxo( 4-1,2-dihydroquinolylidene)]-1,3-dithiolene-4-carboxylate

Molecular Formula	C27H25NO5S3
Molecular Weight	539.0895 g/mol
LogP	5.81854
Topological Polar Surface Area	72.91 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	539.0895
Monoisotopic Mass	539.0895
Heavy Atoms	36
Complexity	1345.278

Chemical Identifiers

CAS Number	328069-86-9
SMILES	CC1=CC2=C(C=C1C)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=CC=C4