3-{5-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyanoethenyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyanoethenyl]furan-2-yl}benzoic acid
3-{5-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyanoethenyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3697-0004 |
| Compound Name: | 3-{5-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyanoethenyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 435.23 |
| Molecular Formula: | C20 H11 Br N4 O3 |
| Smiles: | C(=C(/C#N)c1nc2c(cc(cn2)[Br])[nH]1)/c1ccc(c2cccc(c2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7639 |
| logD: | 1.2512 |
| logSw: | -4.5556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.756 |
| InChI Key: | LXMWWSMGNHKVET-UHFFFAOYSA-N |