tetramethyl 5',5'-dimethyl-6'-propanoyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Chemical Structure Depiction of
tetramethyl 5',5'-dimethyl-6'-propanoyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 5',5'-dimethyl-6'-propanoyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | 3807-4645 |
| Compound Name: | tetramethyl 5',5'-dimethyl-6'-propanoyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 605.7 |
| Molecular Formula: | C27 H27 N O9 S3 |
| Smiles: | CCC(N1c2ccccc2C2=C(C1(C)C)SC(=C(C(=O)OC)C21SC(=C(C(=O)OC)S1)C(=O)OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5928 |
| logD: | 4.5928 |
| logSw: | -4.5287 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 98.795 |
| InChI Key: | QYAANLCKAAAWBQ-UHFFFAOYSA-N |