dimethyl 2-{2,2-dimethyl-1-[(naphthalen-1-yl)acetyl]-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{2,2-dimethyl-1-[(naphthalen-1-yl)acetyl]-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{2,2-dimethyl-1-[(naphthalen-1-yl)acetyl]-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-1054 |
| Compound Name: | dimethyl 2-{2,2-dimethyl-1-[(naphthalen-1-yl)acetyl]-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 575.72 |
| Molecular Formula: | C30 H25 N O5 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2ccccc2N1C(Cc1cccc2ccccc12)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.4185 |
| logD: | 6.4185 |
| logSw: | -6.7158 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 55.983 |
| InChI Key: | XWNRVFYJGNRCJU-UHFFFAOYSA-N |