2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-ethyl-5-fluoro-N-(3-methylphenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-ethyl-5-fluoro-N-(3-methylphenyl)benzene-1-sulfonamide
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-ethyl-5-fluoro-N-(3-methylphenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2157 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-ethyl-5-fluoro-N-(3-methylphenyl)benzene-1-sulfonamide |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C23 H20 F N3 O4 S |
| Smiles: | CCN(c1cccc(C)c1)S(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9046 |
| logD: | 2.9046 |
| logSw: | -3.4087 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.951 |
| InChI Key: | VBBNMUNNHQLOQJ-UHFFFAOYSA-N |