tetramethyl 6'-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Chemical Structure Depiction of
tetramethyl 6'-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 6'-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | Y500-0629 |
| Compound Name: | tetramethyl 6'-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 736.8 |
| Molecular Formula: | C34 H28 N2 O11 S3 |
| Smiles: | CC1(C)C2=C(c3ccccc3N1C(CN1C(c3ccccc3C1=O)=O)=O)C1(C(=C(C(=O)OC)S2)C(=O)OC)SC(=C(C(=O)OC)S1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5011 |
| logD: | 4.5011 |
| logSw: | -4.4258 |
| Hydrogen bond acceptors count: | 21 |
| Polar surface area: | 128.048 |
| InChI Key: | ZVXZEIGZRUUMDJ-UHFFFAOYSA-N |