2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[4-(1,2-oxazol-5-yl)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-(1,2-oxazol-5-yl)phenyl]benzene-1-sulfonamide
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[4-(1,2-oxazol-5-yl)phenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2253 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[4-(1,2-oxazol-5-yl)phenyl]benzene-1-sulfonamide |
| Molecular Weight: | 478.46 |
| Molecular Formula: | C23 H15 F N4 O5 S |
| Smiles: | C(c1ccc(cc1S(Nc1ccc(cc1)c1ccno1)(=O)=O)F)N1C(c2cccnc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9636 |
| logD: | 1.9268 |
| logSw: | -3.0557 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.919 |
| InChI Key: | KMERAIXQYQVGJJ-UHFFFAOYSA-N |