ethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate
ethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate
Compound characteristics
| Compound ID: | Y020-4921 |
| Compound Name: | ethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-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: | CCOC(C1=C(c2ccccc2)S/C(=C2C(C(C)(C)N(C(C(C)C)=O)c3ccccc\23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7441 |
| logD: | 6.7441 |
| logSw: | -5.7803 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 35.188 |
| InChI Key: | XZBVSMXXXCBSTQ-UHFFFAOYSA-N |