tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-5',5',9'-trimethyl-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]-5',5',9'-trimethyl-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]-5',5',9'-trimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | Y508-2689 |
| Compound Name: | tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-5',5',9'-trimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 840.95 |
| Molecular Formula: | C42 H36 N2 O11 S3 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(C(Cc2ccccc2)N2C(c3ccccc3C2=O)=O)=O)SC(=C(C(=O)OC)C12SC(=C(C(=O)OC)S2)C(=O)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5028 |
| logD: | 7.5028 |
| logSw: | -5.8038 |
| Hydrogen bond acceptors count: | 21 |
| Polar surface area: | 127.229 |
| InChI Key: | MWVYLHACKPNPOK-MHZLTWQESA-N |