tetramethyl 5',5',9'-trimethyl-6'-(trifluoroacetyl)-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',9'-trimethyl-6'-(trifluoroacetyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 5',5',9'-trimethyl-6'-(trifluoroacetyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | 3389-0269 |
| Compound Name: | tetramethyl 5',5',9'-trimethyl-6'-(trifluoroacetyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 659.68 |
| Molecular Formula: | C27 H24 F3 N O9 S3 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(C(F)(F)F)=O)SC(=C(C(=O)OC)C12SC(=C(C(=O)OC)S2)C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2471 |
| logD: | 5.2471 |
| logSw: | -5.156 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 99.322 |
| InChI Key: | BLDLAFIPEWGACP-UHFFFAOYSA-N |