dimethyl 2-[2,2,6,7-tetramethyl-1-(phenylacetyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[2,2,6,7-tetramethyl-1-(phenylacetyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[2,2,6,7-tetramethyl-1-(phenylacetyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8015-8899 |
| Compound Name: | dimethyl 2-[2,2,6,7-tetramethyl-1-(phenylacetyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 553.72 |
| Molecular Formula: | C28 H27 N O5 S3 |
| Smiles: | Cc1cc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(Cc3ccccc3)=O)c2cc1C)=S |
| Stereo: | ACHIRAL |
| logP: | 6.3048 |
| logD: | 6.3048 |
| logSw: | -5.5808 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 56.255 |
| InChI Key: | AYTQBEHZGXRHJH-UHFFFAOYSA-N |