diethyl 2-[1-(2-chlorobenzoyl)-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-(2-chlorobenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-[1-(2-chlorobenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-1053 |
| Compound Name: | diethyl 2-[1-(2-chlorobenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 574.14 |
| Molecular Formula: | C27 H24 Cl N O5 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC(=C2C(C(C)(C)N(C(c3ccccc3[Cl])=O)c3ccccc23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3248 |
| logD: | 6.3248 |
| logSw: | -5.9811 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 55.942 |
| InChI Key: | IPGAZAPBRAXLDC-UHFFFAOYSA-N |