dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-2735 |
| Compound Name: | dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 545.74 |
| Molecular Formula: | C27 H31 N O5 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2ccccc2N1C(CCC1CCCCC1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.3628 |
| logD: | 6.3628 |
| logSw: | -5.6217 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 56.447 |
| InChI Key: | DTWOBJRXEREEOD-UHFFFAOYSA-N |