5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3-fluoro-4-methylphenyl)-2-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3-fluoro-4-methylphenyl)-2-methoxybenzene-1-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3-fluoro-4-methylphenyl)-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E912-0346 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3-fluoro-4-methylphenyl)-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 455.46 |
| Molecular Formula: | C22 H18 F N3 O5 S |
| Smiles: | Cc1ccc(cc1F)NS(c1cc(CN2C(c3cccnc3C2=O)=O)ccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4866 |
| logD: | 1.7964 |
| logSw: | -3.0469 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.68 |
| InChI Key: | JIIIGSJPWINMKL-UHFFFAOYSA-N |