diethyl 2-(1-acetyl-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-(1-acetyl-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-(1-acetyl-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-0263 |
| Compound Name: | diethyl 2-(1-acetyl-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C23 H25 N O5 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC(=C2C(C(C)(C)N(C(C)=O)c3cc(C)ccc23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9937 |
| logD: | 4.9937 |
| logSw: | -4.6596 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 56.681 |
| InChI Key: | KORLPNRWIIYNER-UHFFFAOYSA-N |