1-{5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}methanamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-{5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}methanamine--hydrogen chloride (1/1)
1-{5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}methanamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-1864 |
| Compound Name: | 1-{5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}methanamine--hydrogen chloride (1/1) |
| Molecular Weight: | 488.89 |
| Molecular Formula: | C22 H23 F3 N2 O5 |
| Salt: | HCl |
| Smiles: | COc1c(CC2CC(CNCc3cccc(c3)C(F)(F)F)=NO2)cc2c(c1OC)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1705 |
| logD: | 4.1482 |
| logSw: | -4.3692 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.978 |
| InChI Key: | LNILFWUOUPSEQT-KRWDZBQOSA-N |