3'-ethyl 4,5-dimethyl 9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate
Chemical Structure Depiction of
3'-ethyl 4,5-dimethyl 9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate
3'-ethyl 4,5-dimethyl 9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate
Compound characteristics
| Compound ID: | Y020-5786 |
| Compound Name: | 3'-ethyl 4,5-dimethyl 9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate |
| Molecular Weight: | 549.68 |
| Molecular Formula: | C25 H27 N O7 S3 |
| Smiles: | CCOC(C1=CC2(C3=C(C(C)(C)Nc4ccc(cc34)OCC)S1)SC(=C(C(=O)OC)S2)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8682 |
| logD: | 5.8681 |
| logSw: | -5.521 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.028 |
| InChI Key: | DKMRRMLJQBAXLM-UHFFFAOYSA-N |