ethyl 4-({2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}amino)benzoate
ethyl 4-({2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}amino)benzoate
Compound characteristics
| Compound ID: | E786-2161 |
| Compound Name: | ethyl 4-({2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}amino)benzoate |
| Molecular Weight: | 483.47 |
| Molecular Formula: | C23 H18 F N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6972 |
| logD: | 1.6717 |
| logSw: | -3.295 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.804 |
| InChI Key: | SUDOIFRFGHTJPR-UHFFFAOYSA-N |