tetramethyl 6'-[(2,5-dioxopyrrolidin-1-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'-[(2,5-dioxopyrrolidin-1-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'-[(2,5-dioxopyrrolidin-1-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: | 3389-0999 |
| Compound Name: | tetramethyl 6'-[(2,5-dioxopyrrolidin-1-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: | 688.75 |
| Molecular Formula: | C30 H28 N2 O11 S3 |
| Smiles: | CC1(C)C2=C(c3ccccc3N1C(CN1C(CCC1=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: | 2.581 |
| logD: | 2.581 |
| logSw: | -3.1201 |
| Hydrogen bond acceptors count: | 21 |
| Polar surface area: | 128.874 |
| InChI Key: | YEEXVHQKMFMJRM-UHFFFAOYSA-N |