tetramethyl 6'-[(2,5-dioxopyrrolidin-1-yl)acetyl]-5',5',8'-trimethyl-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',8'-trimethyl-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',8'-trimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | 4477-0708 |
| Compound Name: | tetramethyl 6'-[(2,5-dioxopyrrolidin-1-yl)acetyl]-5',5',8'-trimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 702.78 |
| Molecular Formula: | C31 H30 N2 O11 S3 |
| Smiles: | Cc1ccc2C3=C(C(C)(C)N(C(CN4C(CCC4=O)=O)=O)c2c1)SC(=C(C(=O)OC)C31SC(=C(C(=O)OC)S1)C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0641 |
| logD: | 3.0641 |
| logSw: | -3.3805 |
| Hydrogen bond acceptors count: | 21 |
| Polar surface area: | 128.874 |
| InChI Key: | RXONYKVOHAZBTA-UHFFFAOYSA-N |