dimethyl 2-[1-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-7-ethoxy-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)sulfanyl]acetyl}-7-ethoxy-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)sulfanyl]acetyl}-7-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 2932-0961 |
| Compound Name: | dimethyl 2-[1-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-7-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 658.86 |
| Molecular Formula: | C29 H26 N2 O6 S5 |
| Smiles: | CCOc1ccc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(CSc3nc4ccccc4s3)=O)c2c1)=S |
| Stereo: | ACHIRAL |
| logP: | 7.1141 |
| logD: | 7.1141 |
| logSw: | -5.7489 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 72.46 |
| InChI Key: | ZVUXTFHMSWTTAM-UHFFFAOYSA-N |