2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[2-(3-methylthiophen-2-yl)ethyl]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-[2-(3-methylthiophen-2-yl)ethyl]benzene-1-sulfonamide
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[2-(3-methylthiophen-2-yl)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2267 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-[2-(3-methylthiophen-2-yl)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C21 H18 F N3 O4 S2 |
| Smiles: | Cc1ccsc1CCNS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5782 |
| logD: | 2.5781 |
| logSw: | -3.1235 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.019 |
| InChI Key: | YUYRQKVNGCJNFS-UHFFFAOYSA-N |