methyl 2-(1-acetyl-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate
Chemical Structure Depiction of
methyl 2-(1-acetyl-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate
methyl 2-(1-acetyl-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate
Compound characteristics
| Compound ID: | Y010-0303 |
| Compound Name: | methyl 2-(1-acetyl-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate |
| Molecular Weight: | 481.65 |
| Molecular Formula: | C25 H23 N O3 S3 |
| Smiles: | CC(N1c2ccc(C)cc2\C(=C2SC(=C(c3ccccc3)S/2)C(=O)OC)C(C1(C)C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8368 |
| logD: | 5.8368 |
| logSw: | -5.6425 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 36.076 |
| InChI Key: | RDYKQKGDIBFMDZ-UHFFFAOYSA-N |