tetramethyl 6'-(2H-1,3-benzodioxole-5-carbonyl)-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Chemical Structure Depiction of
tetramethyl 6'-(2H-1,3-benzodioxole-5-carbonyl)-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 6'-(2H-1,3-benzodioxole-5-carbonyl)-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | 8010-1636 |
| Compound Name: | tetramethyl 6'-(2H-1,3-benzodioxole-5-carbonyl)-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 725.81 |
| Molecular Formula: | C34 H31 N O11 S3 |
| Smiles: | Cc1cc2C3=C(C(C)(C)N(C(c4ccc5c(c4)OCO5)=O)c2cc1C)SC(=C(C(=O)OC)C31SC(=C(C(=O)OC)S1)C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.4052 |
| logD: | 6.4052 |
| logSw: | -5.6666 |
| Hydrogen bond acceptors count: | 19 |
| Polar surface area: | 116.166 |
| InChI Key: | IBSXCRQLMJKTBF-UHFFFAOYSA-N |