AC1LWC3I
ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: AG-690/11838255|ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate|(Z)-ethyl 2-(1-butyryl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate|ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate|ethyl 2-(1-butanoyl-2,2-dimethyl-3-thioxo(4-1,2-dihydroquinolylidene))-5-pheny l-1,3-dithiolene-4-carboxylate|ethyl 2-(1-butyryl-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate|ETHYL 2-[(4Z)-1-BUTANOYL-2,2-DIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-5-PHENYL-2H-1,3-DITHIOLE-4-CARBOXYLATE
| Molecular Formula | C27H27NO3S3 |
|---|---|
| Molecular Weight | 509.1153 g/mol |
| LogP | 7.0623 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.1153 |
| Monoisotopic Mass | 509.1153 |
| Heavy Atoms | 34 |
| Complexity | 1214.636 |
Chemical Identifiers
| CAS Number | 331973-72-9 |
|---|---|
| SMILES | CCCC(=O)N1C2=CC=CC=C2/C(=C/3\SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)/C(=S)C1(C)C |
Product Overview
AC1LWC3I (CAS 331973-72-9), with molecular formula C27H27NO3S3 and molecular weight 509.1153 g/mol. IUPAC: ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.