dimethyl 2-[1-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-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-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y500-1039 |
| Compound Name: | dimethyl 2-[1-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 598.74 |
| Molecular Formula: | C27 H22 N2 O6 S4 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2ccccc2N1C(COc1nc2ccccc2s1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.7735 |
| logD: | 5.7735 |
| logSw: | -5.6208 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 75.264 |
| InChI Key: | NDRDSUVUUAUUGW-UHFFFAOYSA-N |