N-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2140 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 469.45 |
| Molecular Formula: | C22 H16 F N3 O6 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9028 |
| logD: | 1.9027 |
| logSw: | -3.053 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.274 |
| InChI Key: | WBLMFUMDURSEKN-UHFFFAOYSA-N |