tetramethyl 6'-(4-fluorobenzoyl)-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'-(4-fluorobenzoyl)-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'-(4-fluorobenzoyl)-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: | 3389-0947 |
| Compound Name: | tetramethyl 6'-(4-fluorobenzoyl)-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: | 699.79 |
| Molecular Formula: | C33 H30 F N O9 S3 |
| Smiles: | Cc1cc2C3=C(C(C)(C)N(C(c4ccc(cc4)F)=O)c2cc1C)SC(=C(C(=O)OC)C31SC(=C(C(=O)OC)S1)C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.5959 |
| logD: | 6.5959 |
| logSw: | -5.7362 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 99.05 |
| InChI Key: | FFKGJNVOIWPHJK-UHFFFAOYSA-N |