1-(4-ethylphenyl)-3-hydroxy-3-(3-nitrophenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
Chemical Structure Depiction of
1-(4-ethylphenyl)-3-hydroxy-3-(3-nitrophenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
1-(4-ethylphenyl)-3-hydroxy-3-(3-nitrophenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
Compound characteristics
| Compound ID: | K404-0730 |
| Compound Name: | 1-(4-ethylphenyl)-3-hydroxy-3-(3-nitrophenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium |
| Molecular Weight: | 446.34 |
| Molecular Formula: | C21 H24 N3 O3 |
| Salt: | Br- |
| Smiles: | CCc1ccc(cc1)[N+]1CC(c2cccc(c2)[N+]([O-])=O)(N2CCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5445 |
| logD: | 4.5445 |
| logSw: | -4.1722 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.192 |
| InChI Key: | JYLNVDCDHFIHIO-NRFANRHFSA-N |