dimethyl 2-{1-[(4-methoxyphenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{1-[(4-methoxyphenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{1-[(4-methoxyphenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 4151-0287 |
| Compound Name: | dimethyl 2-{1-[(4-methoxyphenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 555.69 |
| Molecular Formula: | C27 H25 N O6 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2ccccc2N1C(Cc1ccc(cc1)OC)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.2511 |
| logD: | 5.2511 |
| logSw: | -5.1559 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 63.799 |
| InChI Key: | OWUYPDCYDXAJKM-UHFFFAOYSA-N |