diethyl 2-[6-ethoxy-2,2-dimethyl-1-(phenylacetyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-[6-ethoxy-2,2-dimethyl-1-(phenylacetyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-[6-ethoxy-2,2-dimethyl-1-(phenylacetyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-1193 |
| Compound Name: | diethyl 2-[6-ethoxy-2,2-dimethyl-1-(phenylacetyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 597.77 |
| Molecular Formula: | C30 H31 N O6 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC(=C2C(C(C)(C)N(C(Cc3ccccc3)=O)c3ccc(cc23)OCC)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6852 |
| logD: | 6.6852 |
| logSw: | -5.74 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 62.538 |
| InChI Key: | HFMRYDWDGHFBEU-UHFFFAOYSA-N |