N-[2-(3,4-dimethoxyphenyl)ethyl]-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-(3,4-dimethoxyphenyl)ethyl]-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2112 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 499.52 |
| Molecular Formula: | C24 H22 F N3 O6 S |
| Smiles: | COc1ccc(CCNS(c2cc(ccc2CN2C(c3cccnc3C2=O)=O)F)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6727 |
| logD: | 1.6727 |
| logSw: | -2.7323 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.261 |
| InChI Key: | ZTQIYZRGINDIAW-UHFFFAOYSA-N |