dimethyl 2-[1-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[1-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y500-1040 |
| Compound Name: | dimethyl 2-[1-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 612.76 |
| Molecular Formula: | C28 H24 N2 O6 S4 |
| Smiles: | Cc1ccc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(CSc3nc4ccccc4o3)=O)c2c1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.3366 |
| logD: | 6.3366 |
| logSw: | -5.5766 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 72.918 |
| InChI Key: | YBEUYRCBDWKOGD-UHFFFAOYSA-N |