2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-methyl-N-(3-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-methyl-N-(3-methylphenyl)benzene-1-sulfonamide
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-methyl-N-(3-methylphenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2231 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-methyl-N-(3-methylphenyl)benzene-1-sulfonamide |
| Molecular Weight: | 439.46 |
| Molecular Formula: | C22 H18 F N3 O4 S |
| Smiles: | Cc1cccc(c1)N(C)S(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9353 |
| logD: | 2.9353 |
| logSw: | -3.4116 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.221 |
| InChI Key: | NRTKOQROERRTBY-UHFFFAOYSA-N |