ethyl 1-{2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}piperidine-3-carboxylate
ethyl 1-{2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | E786-2200 |
| Compound Name: | ethyl 1-{2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}piperidine-3-carboxylate |
| Molecular Weight: | 475.49 |
| Molecular Formula: | C22 H22 F N3 O6 S |
| Smiles: | CCOC(C1CCCN(C1)S(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3298 |
| logD: | 1.3298 |
| logSw: | -2.491 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.798 |
| InChI Key: | LUJPRWGLUSRJQM-HNNXBMFYSA-N |