2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[(4-fluorophenyl)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-[(4-fluorophenyl)methyl]benzene-1-sulfonamide
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[(4-fluorophenyl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2191 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[(4-fluorophenyl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 443.43 |
| Molecular Formula: | C21 H15 F2 N3 O4 S |
| Smiles: | C(c1ccc(cc1)F)NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0188 |
| logD: | 2.0183 |
| logSw: | -3.0423 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.159 |
| InChI Key: | XZOJPPSOHYKPFG-UHFFFAOYSA-N |