N-(2,4-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-(2,4-dimethoxyphenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
N-(2,4-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: | E786-2075 |
Compound Name: | N-(2,4-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)OC)NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8535 |
logD: | 0.7541 |
logSw: | -2.8981 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.526 |
InChI Key: | HNXRVFCVCDGAFL-UHFFFAOYSA-N |