methyl 4-{7-fluoro-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-{7-fluoro-3,9-dioxo-2-[(oxolan-2-yl)methyl]-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
methyl 4-{7-fluoro-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: | Y070-3952 |
| Compound Name: | methyl 4-{7-fluoro-3,9-dioxo-2-[(oxolan-2-yl)methyl]-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate |
| Molecular Weight: | 437.42 |
| Molecular Formula: | C24 H20 F N O6 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(C(N1CC1CCCO1)=O)Oc1ccc(cc1C2=O)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3459 |
| logD: | 3.3459 |
| logSw: | -3.7278 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.561 |
| InChI Key: | NBBFDTDADNXPKZ-UHFFFAOYSA-N |