3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0845 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 475.38 |
| Molecular Formula: | C23 H27 N2 O4 |
| Salt: | Br- |
| Smiles: | COc1ccccc1[N+]1CC(c2ccc3c(c2)OCCO3)(N2CCCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0026 |
| logD: | 3.0026 |
| logSw: | -3.1215 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.294 |
| InChI Key: | DQTRFWDEWJYJOJ-QHCPKHFHSA-N |