dimethyl 2-[6-methoxy-2,2-dimethyl-1-{[(naphthalen-2-yl)oxy]acetyl}-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[6-methoxy-2,2-dimethyl-1-{[(naphthalen-2-yl)oxy]acetyl}-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[6-methoxy-2,2-dimethyl-1-{[(naphthalen-2-yl)oxy]acetyl}-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 2932-0954 |
| Compound Name: | dimethyl 2-[6-methoxy-2,2-dimethyl-1-{[(naphthalen-2-yl)oxy]acetyl}-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 621.75 |
| Molecular Formula: | C31 H27 N O7 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2cc(ccc2N1C(COc1ccc2ccccc2c1)=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 6.3497 |
| logD: | 6.3497 |
| logSw: | -6.5147 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 71.026 |
| InChI Key: | GRJNUKVYUUIOSL-UHFFFAOYSA-N |