dimethyl 2-[1-(2H-1,3-benzodioxole-5-carbonyl)-6-methoxy-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-(2H-1,3-benzodioxole-5-carbonyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(2H-1,3-benzodioxole-5-carbonyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3807-5638 |
| Compound Name: | dimethyl 2-[1-(2H-1,3-benzodioxole-5-carbonyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 585.67 |
| Molecular Formula: | C27 H23 N O8 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2cc(ccc2N1C(c1ccc2c(c1)OCO2)=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.2279 |
| logD: | 5.2279 |
| logSw: | -5.1209 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 81.441 |
| InChI Key: | QKWOZJZKSQKOKL-UHFFFAOYSA-N |