dimethyl 2-[1-(4-bromobenzoyl)-8-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-(4-bromobenzoyl)-8-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(4-bromobenzoyl)-8-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-0940 |
| Compound Name: | dimethyl 2-[1-(4-bromobenzoyl)-8-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 620.56 |
| Molecular Formula: | C26 H22 Br N O6 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2cccc(c2N1C(c1ccc(cc1)[Br])=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 6.0187 |
| logD: | 6.0187 |
| logSw: | -5.5733 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 65.57 |
| InChI Key: | FWLBJKLOHSVAII-UHFFFAOYSA-N |