1-(2,5-dimethoxyphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
1-(2,5-dimethoxyphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Compound characteristics
| Compound ID: | K404-0857 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium |
| Molecular Weight: | 477.4 |
| Molecular Formula: | C23 H29 N2 O4 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)C1(C[N+](=C2CCCCCN12)c1cc(ccc1OC)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2623 |
| logD: | 4.2623 |
| logSw: | -4.1636 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.559 |
| InChI Key: | CLEJTIJEXYEFDG-QHCPKHFHSA-N |