dimethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8010-1644 |
| Compound Name: | dimethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 535.7 |
| Molecular Formula: | C25 H29 N O6 S3 |
| Smiles: | CCCCC(N1c2ccc(cc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6875 |
| logD: | 5.6875 |
| logSw: | -5.4305 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 63.65 |
| InChI Key: | HEMSFISGKQIIAX-UHFFFAOYSA-N |