dimethyl 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-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-(2-propylpentanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8015-9085 |
| Compound Name: | dimethyl 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 563.75 |
| Molecular Formula: | C27 H33 N O6 S3 |
| Smiles: | CCCC(CCC)C(N1c2ccc(cc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9329 |
| logD: | 6.9329 |
| logSw: | -5.7671 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 64.597 |
| InChI Key: | LSZOCDZWJYFKSA-UHFFFAOYSA-N |