diethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y020-5049 |
| Compound Name: | diethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 549.73 |
| Molecular Formula: | C26 H31 N O6 S3 |
| Smiles: | CCCC(N1c2ccc(cc2C(=C2SC(=C(C(=O)OCC)S2)C(=O)OCC)C(C1(C)C)=S)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.23 |
| logD: | 6.23 |
| logSw: | -5.5853 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 62.81 |
| InChI Key: | IIFUIRSXYJHMKS-UHFFFAOYSA-N |