ethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate
ethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate
Compound characteristics
| Compound ID: | 4477-1013 |
| Compound Name: | ethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate |
| Molecular Weight: | 491.69 |
| Molecular Formula: | C24 H29 N O4 S3 |
| Smiles: | CCOC(C1=CS/C(=C2C(C(C)(C)N(C(CC(C)C)=O)c3ccc(cc\23)OCC)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0821 |
| logD: | 6.0821 |
| logSw: | -5.5509 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 42.056 |
| InChI Key: | SETJZVGYOVVJDH-UHFFFAOYSA-N |