dimethyl 2-[1-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-2,2,6,8-tetramethyl-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)sulfanyl]acetyl}-2,2,6,8-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-2,2,6,8-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 2932-0960 |
| Compound Name: | dimethyl 2-[1-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-2,2,6,8-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 642.86 |
| Molecular Formula: | C29 H26 N2 O5 S5 |
| Smiles: | Cc1cc(C)c2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(CSc1nc2ccccc2s1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 7.4963 |
| logD: | 7.4963 |
| logSw: | -5.6891 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 66.493 |
| InChI Key: | NFEVCDOWWLKRBY-UHFFFAOYSA-N |