diethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y020-5047 |
| Compound Name: | diethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 533.73 |
| Molecular Formula: | C26 H31 N O5 S3 |
| Smiles: | CCCCC(N1c2ccc(C)cc2C(=C2SC(=C(C(=O)OCC)S2)C(=O)OCC)C(C1(C)C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4353 |
| logD: | 6.4353 |
| logSw: | -5.6441 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 55.686 |
| InChI Key: | NIDRYZKGUOHRKO-UHFFFAOYSA-N |