dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,6,8-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,6,8-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,6,8-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8016-3220 |
| Compound Name: | dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,6,8-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 573.79 |
| Molecular Formula: | C29 H35 N O5 S3 |
| Smiles: | Cc1cc(C)c2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(CCC1CCCCC1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 7.4716 |
| logD: | 7.4716 |
| logSw: | -5.579 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 57.604 |
| InChI Key: | HTFQMUHPEGKJTN-UHFFFAOYSA-N |