ethyl 2-(1-butanoyl-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-(1-butanoyl-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate
ethyl 2-(1-butanoyl-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate
Compound characteristics
| Compound ID: | Y020-4956 |
| Compound Name: | ethyl 2-(1-butanoyl-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate |
| Molecular Weight: | 509.71 |
| Molecular Formula: | C27 H27 N O3 S3 |
| Smiles: | CCCC(N1c2ccccc2\C(=C2SC(=C(c3ccccc3)S/2)C(=O)OCC)C(C1(C)C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9301 |
| logD: | 6.9301 |
| logSw: | -5.8257 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 34.661 |
| InChI Key: | OQUFEZWXAWKYMV-UHFFFAOYSA-N |