diethyl 2-[2,2,6,8-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-[2,2,6,8-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-[2,2,6,8-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8010-4249 |
| Compound Name: | diethyl 2-[2,2,6,8-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 533.73 |
| Molecular Formula: | C26 H31 N O5 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC(=C2C(C(C)(C)N(C(C(C)C)=O)c3c(C)cc(C)cc23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5805 |
| logD: | 6.5805 |
| logSw: | -5.6176 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 57.37 |
| InChI Key: | GRHXWBRVJHCJAI-UHFFFAOYSA-N |