2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2189 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 455.46 |
| Molecular Formula: | C22 H18 F N3 O5 S |
| Smiles: | COc1cccc(CNS(c2cc(ccc2CN2C(c3cccnc3C2=O)=O)F)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.087 |
| logD: | 2.0866 |
| logSw: | -3.0499 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.702 |
| InChI Key: | GKRFBLPZDVILKU-UHFFFAOYSA-N |