5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-2019 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide |
| Molecular Weight: | 431.46 |
| Molecular Formula: | C19 H14 F N3 O4 S2 |
| Smiles: | Cc1cc(ccc1NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 2.3001 |
| logD: | 2.0793 |
| logSw: | -3.0808 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.37 |
| InChI Key: | ODMGLPOWUMXKFH-UHFFFAOYSA-N |