diethyl 2-(1-butanoyl-6-methoxy-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-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-(1-butanoyl-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y020-5633 |
| Compound Name: | diethyl 2-(1-butanoyl-6-methoxy-2,2-dimethyl-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: | CCCC(N1c2ccc(cc2C(=C2SC(=C(C(=O)OCC)S2)C(=O)OCC)C(C1(C)C)=S)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8426 |
| logD: | 5.8426 |
| logSw: | -5.5834 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 63.23 |
| InChI Key: | XMSBIXJEEJTLOH-UHFFFAOYSA-N |