2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[4-(propan-2-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-(propan-2-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-(propan-2-yl)phenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2192 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[4-(propan-2-yl)phenyl]benzene-1-sulfonamide |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C23 H20 F N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.434 |
| logD: | 3.3337 |
| logSw: | -3.7783 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.05 |
| InChI Key: | BOTHXKXGWITLML-UHFFFAOYSA-N |