diethyl 6'-(but-2-enoyl)-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
Chemical Structure Depiction of
diethyl 6'-(but-2-enoyl)-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
diethyl 6'-(but-2-enoyl)-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
Compound characteristics
| Compound ID: | 8016-2175 |
| Compound Name: | diethyl 6'-(but-2-enoyl)-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate |
| Molecular Weight: | 559.72 |
| Molecular Formula: | C27 H29 N O6 S3 |
| Smiles: | CCOC(C1=CC2(C3=C(C(C)(C)N(C(/C=C/C)=O)c4ccc(cc34)OC)S1)SC=C(C(=O)OCC)S2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1384 |
| logD: | 6.1384 |
| logSw: | -5.5573 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 63.15 |
| InChI Key: | NBTOVRBZRVCGGB-MHZLTWQESA-N |