diethyl 2-(1-benzoyl-8-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-(1-benzoyl-8-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-(1-benzoyl-8-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3456-2028 |
| Compound Name: | diethyl 2-(1-benzoyl-8-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 583.74 |
| Molecular Formula: | C29 H29 N O6 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC(=C2C(C(C)(C)N(C(c3ccccc3)=O)c3c2cccc3OCC)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2881 |
| logD: | 6.2881 |
| logSw: | -5.7101 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 64.309 |
| InChI Key: | KWMNKTKJRSGNRA-UHFFFAOYSA-N |