ethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-5-phenyl-2H-1,3-dithiole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-5-phenyl-2H-1,3-dithiole-4-carboxylate
ethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-5-phenyl-2H-1,3-dithiole-4-carboxylate
Compound characteristics
| Compound ID: | Y500-0780 |
| Compound Name: | ethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-5-phenyl-2H-1,3-dithiole-4-carboxylate |
| Molecular Weight: | 640.8 |
| Molecular Formula: | C34 H28 N2 O5 S3 |
| Smiles: | CCOC(C1=C(c2ccccc2)S/C(=C2C(C(C)(C)N(C(CN3C(c4ccccc4C3=O)=O)=O)c3cc(C)ccc\23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7746 |
| logD: | 6.7746 |
| logSw: | -5.6841 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 63.914 |
| InChI Key: | FKHUQEQGFUMYND-UHFFFAOYSA-N |