tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Chemical Structure Depiction of
tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | 8010-1061 |
| Compound Name: | tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 856.95 |
| Molecular Formula: | C42 H36 N2 O12 S3 |
| Smiles: | CC1(C)C2=C(c3cc(ccc3N1C(C(Cc1ccccc1)N1C(c3ccccc3C1=O)=O)=O)OC)C1(C(=C(C(=O)OC)S2)C(=O)OC)SC(=C(C(=O)OC)S1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2117 |
| logD: | 7.2117 |
| logSw: | -5.7986 |
| Hydrogen bond acceptors count: | 22 |
| Polar surface area: | 134.773 |
| InChI Key: | PCMNVHIYRPYXFU-MHZLTWQESA-N |