diethyl 2-(6-methoxy-2,2-dimethyl-1-propanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-(6-methoxy-2,2-dimethyl-1-propanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-(6-methoxy-2,2-dimethyl-1-propanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y020-5048 |
| Compound Name: | diethyl 2-(6-methoxy-2,2-dimethyl-1-propanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 521.67 |
| Molecular Formula: | C24 H27 N O6 S3 |
| Smiles: | CCC(N1c2ccc(cc2C(=C2SC(=C(C(=O)OCC)S2)C(=O)OCC)C(C1(C)C)=S)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2956 |
| logD: | 5.2956 |
| logSw: | -5.4086 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 63.23 |
| InChI Key: | ISTBKJIYRKMMTQ-UHFFFAOYSA-N |