diethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3807-5017 |
| Compound Name: | diethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 533.73 |
| Molecular Formula: | C26 H31 N O5 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC(=C2C(C(C)(C)N(C(CC(C)C)=O)c3cc(C)ccc23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3875 |
| logD: | 6.3875 |
| logSw: | -5.5525 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 55.686 |
| InChI Key: | XQWRXEBTWSKOMQ-UHFFFAOYSA-N |