2-(2H-1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)methyl]-N-{[4-(trifluoromethyl)phenyl]methyl}ethan-1-amine--oxalic acid (1/1)
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)methyl]-N-{[4-(trifluoromethyl)phenyl]methyl}ethan-1-amine--oxalic acid (1/1)
2-(2H-1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)methyl]-N-{[4-(trifluoromethyl)phenyl]methyl}ethan-1-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-1882 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)methyl]-N-{[4-(trifluoromethyl)phenyl]methyl}ethan-1-amine--oxalic acid (1/1) |
| Molecular Weight: | 547.53 |
| Molecular Formula: | C26 H26 F3 N O3 |
| Salt: | HOOCCOOH |
| Smiles: | CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccc(cc2)C(F)(F)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1549 |
| logD: | 5.9415 |
| logSw: | -5.6718 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.896 |
| InChI Key: | YSLXBRWORJQABJ-UHFFFAOYSA-N |