AC1MDDW2
dimethyl 2-[2,2,6-trimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00126807|AG-690/07588039|dimethyl 2-[2,2,6-trimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate|4,5-DIMETHYL 2-[2,2,6-TRIMETHYL-1-(4-METHYLBENZOYL)-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE|dimethyl 2-(2,2,6-trimethyl-1-(4-methylbenzoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(2,2,6-trimethyl-1-(4-methylbenzoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-{2,2,6-trimethyl-1-[(4-methylphenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
| 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 | 1342.278 |
Chemical Identifiers
| CAS Number | 301655-47-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)C)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C |
Product Overview
AC1MDDW2 (CAS 301655-47-0), with molecular formula C27H25NO5S3 and molecular weight 539.0895 g/mol. IUPAC: dimethyl 2-[2,2,6-trimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.