diethyl 2-(1-benzoyl-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-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y020-5046 |
| Compound Name: | diethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 539.69 |
| Molecular Formula: | C27 H25 N O5 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC(=C2C(C(C)(C)N(C(c3ccccc3)=O)c3ccccc23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9437 |
| logD: | 5.9437 |
| logSw: | -5.6285 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 55.942 |
| InChI Key: | YIECIYJDGRJNSD-UHFFFAOYSA-N |