3'-ethyl 4,5-dimethyl 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 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 5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate
Compound characteristics
| Compound ID: | 8013-6088 |
| Compound Name: | 3'-ethyl 4,5-dimethyl 5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate |
| Molecular Weight: | 505.63 |
| Molecular Formula: | C23 H23 N O6 S3 |
| Smiles: | CCOC(C1=CC2(C3=C(C(C)(C)Nc4ccccc34)S1)SC(=C(C(=O)OC)S2)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3076 |
| logD: | 5.3076 |
| logSw: | -5.2631 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.904 |
| InChI Key: | LNMBEHGHXDCNRJ-UHFFFAOYSA-N |