tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-9'-ethoxy-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-dioxooctahydro-2H-isoindol-2-yl)acetyl]-9'-ethoxy-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-dioxooctahydro-2H-isoindol-2-yl)acetyl]-9'-ethoxy-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: | Y508-5503 |
| Compound Name: | tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 786.9 |
| Molecular Formula: | C36 H38 N2 O12 S3 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(CN2C(C3CCCCC3C2=O)=O)=O)SC(=C(C(=O)OC)C12SC(=C(C(=O)OC)S2)C(=O)OC)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6775 |
| logD: | 4.6775 |
| logSw: | -4.5787 |
| Hydrogen bond acceptors count: | 22 |
| Polar surface area: | 135.363 |
| InChI Key: | HYRVDRBDVZVUEF-UHFFFAOYSA-N |