2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)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-bromo-4-methoxyphenyl)methyl]-N-[(4-ethoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-ethoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-5216 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-ethoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1) |
| Molecular Weight: | 588.45 |
| Molecular Formula: | C26 H28 Br N O4 |
| Salt: | HOOCCOOH |
| Smiles: | CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccc(c(c2)[Br])OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.768 |
| logD: | 5.7266 |
| logSw: | -5.5461 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.527 |
| InChI Key: | PFOWSJHGZXFGSF-UHFFFAOYSA-N |