N-[4-({2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}amino)phenyl]acetamide
Chemical Structure Depiction of
N-[4-({2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}amino)phenyl]acetamide
N-[4-({2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}amino)phenyl]acetamide
Compound characteristics
| Compound ID: | E786-2229 |
| Compound Name: | N-[4-({2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonyl}amino)phenyl]acetamide |
| Molecular Weight: | 468.46 |
| Molecular Formula: | C22 H17 F N4 O5 S |
| Smiles: | CC(Nc1ccc(cc1)NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.297 |
| logD: | 1.199 |
| logSw: | -2.549 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.312 |
| InChI Key: | XOQOJKXJLMIKJI-UHFFFAOYSA-N |