tetramethyl 6'-(4-tert-butylbenzoyl)-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'-(4-tert-butylbenzoyl)-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 6'-(4-tert-butylbenzoyl)-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: | 4477-0208 |
| Compound Name: | tetramethyl 6'-(4-tert-butylbenzoyl)-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 709.86 |
| Molecular Formula: | C35 H35 N O9 S3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(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: | 7.3252 |
| logD: | 7.3252 |
| logSw: | -5.7838 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 99.05 |
| InChI Key: | OCHIMQYFWGANHR-UHFFFAOYSA-N |