N-[3-(dimethylamino)-4-methylphenyl]-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-[3-(dimethylamino)-4-methylphenyl]-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
N-[3-(dimethylamino)-4-methylphenyl]-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2249 |
| Compound Name: | N-[3-(dimethylamino)-4-methylphenyl]-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C23 H21 F N4 O4 S |
| Smiles: | Cc1ccc(cc1N(C)C)NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8762 |
| logD: | 2.621 |
| logSw: | -3.5502 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.554 |
| InChI Key: | RXRLYJUPVQTQBA-UHFFFAOYSA-N |