2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[4-(trifluoromethoxy)phenyl]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-[4-(trifluoromethoxy)phenyl]benzene-1-sulfonamide
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[4-(trifluoromethoxy)phenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2225 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[4-(trifluoromethoxy)phenyl]benzene-1-sulfonamide |
| Molecular Weight: | 495.41 |
| Molecular Formula: | C21 H13 F4 N3 O5 S |
| Smiles: | C(c1ccc(cc1S(Nc1ccc(cc1)OC(F)(F)F)(=O)=O)F)N1C(c2cccnc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2871 |
| logD: | 3.1365 |
| logSw: | -3.8559 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.987 |
| InChI Key: | JSSBQUBKNCOVHZ-UHFFFAOYSA-N |