methyl 4-{6,7-dimethyl-3,9-dioxo-2-[(oxolan-2-yl)methyl]-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{6,7-dimethyl-3,9-dioxo-2-[(oxolan-2-yl)methyl]-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
methyl 4-{6,7-dimethyl-3,9-dioxo-2-[(oxolan-2-yl)methyl]-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | Y070-4077 |
| Compound Name: | methyl 4-{6,7-dimethyl-3,9-dioxo-2-[(oxolan-2-yl)methyl]-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C26 H25 N O6 |
| Smiles: | Cc1cc2C(C3C(c4ccc(cc4)C(=O)OC)N(CC4CCCO4)C(C=3Oc2cc1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2423 |
| logD: | 4.2423 |
| logSw: | -4.3893 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.561 |
| InChI Key: | ILCHIIFNDOHHNR-UHFFFAOYSA-N |