1-{5-[(4,7-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-[(4,7-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-[(4,7-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: | 8019-4353 |
| Compound Name: | 1-{5-[(4,7-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: | COc1cc(CC2CC(CNCc3cccc(c3)C(F)(F)F)=NO2)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9244 |
| logD: | 3.9021 |
| logSw: | -4.1488 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.575 |
| InChI Key: | SCRYRIVBFXEFRW-KRWDZBQOSA-N |