2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(2-methoxy-5-methylphenyl)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-(2-methoxy-5-methylphenyl)benzene-1-sulfonamide
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(2-methoxy-5-methylphenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2226 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(2-methoxy-5-methylphenyl)benzene-1-sulfonamide |
| Molecular Weight: | 455.46 |
| Molecular Formula: | C22 H18 F N3 O5 S |
| Smiles: | Cc1ccc(c(c1)NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0707 |
| logD: | 1.4067 |
| logSw: | -3.0337 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.982 |
| InChI Key: | MHTUKVFXIKMVOP-UHFFFAOYSA-N |