N-(2,5-dimethoxyphenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
N-(2,5-dimethoxyphenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2162 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 471.46 |
| Molecular Formula: | C22 H18 F N3 O6 S |
| Smiles: | COc1ccc(c(c1)NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9173 |
| logD: | 0.1911 |
| logSw: | -3.0108 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.526 |
| InChI Key: | KYJNNPLSLBQJBP-UHFFFAOYSA-N |