2-(2H-1,3-benzodioxol-5-yl)-N-[(3,4-difluorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[(3,4-difluorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
2-(2H-1,3-benzodioxol-5-yl)-N-[(3,4-difluorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-5232 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(3,4-difluorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1) |
| Molecular Weight: | 515.51 |
| Molecular Formula: | C25 H25 F2 N O3 |
| Salt: | HOOCCOOH |
| Smiles: | CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccc(c(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 5.6328 |
| logD: | 5.4857 |
| logSw: | -5.5467 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.9827 |
| InChI Key: | YNUJTPYGRSHRKJ-UHFFFAOYSA-N |