ethyl 2-[1-(3-methoxybenzoyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-[1-(3-methoxybenzoyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate
ethyl 2-[1-(3-methoxybenzoyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate
Compound characteristics
| Compound ID: | Y500-0735 |
| Compound Name: | ethyl 2-[1-(3-methoxybenzoyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate |
| Molecular Weight: | 587.78 |
| Molecular Formula: | C32 H29 N O4 S3 |
| Smiles: | CCOC(C1=C(c2ccccc2)S/C(=C2C(C(C)(C)N(C(c3cccc(c3)OC)=O)c3ccc(C)cc\23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7752 |
| logD: | 7.7752 |
| logSw: | -5.761 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 42.46 |
| InChI Key: | DTEQCRBOHYRTSZ-UHFFFAOYSA-N |