1-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-4-methylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-4-methylpyridin-1-ium--bromide (1/1)
1-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-4-methylpyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4159-0039 |
| Compound Name: | 1-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-4-methylpyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 336.23 |
| Molecular Formula: | C16 H18 N O2 |
| Salt: | Br- |
| Smiles: | Cc1cc[n+](CC2OCc3ccccc3CO2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4423 |
| logD: | 2.4423 |
| logSw: | -2.3564 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 21.2589 |
| InChI Key: | ORGRGSKZDFCRJT-UHFFFAOYSA-N |