dimethyl 2-{2,2,7-trimethyl-1-[3-(4-nitrophenyl)prop-2-enoyl]-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{2,2,7-trimethyl-1-[3-(4-nitrophenyl)prop-2-enoyl]-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{2,2,7-trimethyl-1-[3-(4-nitrophenyl)prop-2-enoyl]-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8010-3294 |
| Compound Name: | dimethyl 2-{2,2,7-trimethyl-1-[3-(4-nitrophenyl)prop-2-enoyl]-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 596.7 |
| Molecular Formula: | C28 H24 N2 O7 S3 |
| Smiles: | Cc1ccc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(/C=C/c3ccc(cc3)[N+]([O-])=O)=O)c2c1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.0974 |
| logD: | 6.0974 |
| logSw: | -5.571 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 89.636 |
| InChI Key: | TZRPSPRJKXQIQY-UHFFFAOYSA-N |