2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(4-fluoro-3-nitrophenyl)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-fluoro-3-nitrophenyl)benzene-1-sulfonamide
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(4-fluoro-3-nitrophenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K906-4926 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(4-fluoro-3-nitrophenyl)benzene-1-sulfonamide |
| Molecular Weight: | 474.4 |
| Molecular Formula: | C20 H12 F2 N4 O6 S |
| Smiles: | C(c1ccc(cc1S(Nc1ccc(c(c1)[N+]([O-])=O)F)(=O)=O)F)N1C(c2cccnc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0223 |
| logD: | -1.6891 |
| logSw: | -3.1227 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.131 |
| InChI Key: | JJTCGEJFGZXECI-UHFFFAOYSA-N |