methyl 4-{2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
methyl 4-{2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 6959-1202 |
| Compound Name: | methyl 4-{2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate |
| Molecular Weight: | 487.44 |
| Molecular Formula: | C27 H18 F N O7 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(C(N1Cc1ccc3c(c1)OCO3)=O)Oc1ccc(cc1C2=O)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4606 |
| logD: | 4.4606 |
| logSw: | -4.4449 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.022 |
| InChI Key: | NNWKBDIZIHRYBF-HSZRJFAPSA-N |