tetraethyl 5',5',8'-trimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Chemical Structure Depiction of
tetraethyl 5',5',8'-trimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetraethyl 5',5',8'-trimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | Y500-0980 |
| Compound Name: | tetraethyl 5',5',8'-trimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 737.91 |
| Molecular Formula: | C37 H39 N O9 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC2=C(c3ccc(C)cc3N(C(Cc3ccccc3)=O)C2(C)C)C12SC(=C(C(=O)OCC)S2)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9165 |
| logD: | 7.9165 |
| logSw: | -5.7527 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 96.842 |
| InChI Key: | STGIUNIYOPLKSU-UHFFFAOYSA-N |