2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-1861 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1) |
| Molecular Weight: | 558.42 |
| Molecular Formula: | C25 H26 Br N O3 |
| Salt: | HOOCCOOH |
| Smiles: | CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2cccc(c2)[Br])cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9931 |
| logD: | 5.9202 |
| logSw: | -5.6459 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.896 |
| InChI Key: | XVYDWFZKMTZLLY-UHFFFAOYSA-N |