dimethyl 2-{1-[ethoxy(oxo)acetyl]-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{1-[ethoxy(oxo)acetyl]-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{1-[ethoxy(oxo)acetyl]-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y020-5282 |
| Compound Name: | dimethyl 2-{1-[ethoxy(oxo)acetyl]-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 521.63 |
| Molecular Formula: | C23 H23 N O7 S3 |
| Smiles: | CCOC(C(N1c2c(C)cccc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3227 |
| logD: | 4.3227 |
| logSw: | -4.4519 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 78.965 |
| InChI Key: | DIAGLVDZPOALBL-UHFFFAOYSA-N |