dimethyl 2-{6-ethoxy-1-[3-(4-methoxyphenyl)prop-2-enoyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{6-ethoxy-1-[3-(4-methoxyphenyl)prop-2-enoyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{6-ethoxy-1-[3-(4-methoxyphenyl)prop-2-enoyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-0414 |
| Compound Name: | dimethyl 2-{6-ethoxy-1-[3-(4-methoxyphenyl)prop-2-enoyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 611.76 |
| Molecular Formula: | C30 H29 N O7 S3 |
| Smiles: | CCOc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(/C=C/c1ccc(cc1)OC)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.2433 |
| logD: | 6.2433 |
| logSw: | -5.6169 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 70.922 |
| InChI Key: | HJALSARBBKGMKR-UHFFFAOYSA-N |