3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-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-phenyl-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-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0819 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 445.36 |
| Molecular Formula: | C22 H25 N2 O3 |
| Salt: | Br- |
| Smiles: | C1CCC2N(CC1)C(C[N+]=2c1ccccc1)(c1ccc2c(c1)OCCO2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1042 |
| logD: | 3.1042 |
| logSw: | -3.1313 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.965 |
| InChI Key: | JHMPPYMRVWQICZ-QFIPXVFZSA-N |