2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)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]ethan-1-amine--oxalic acid (1/1)
2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Compound characteristics
Compound ID: | 3702-1563 |
Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]ethan-1-amine--oxalic acid (1/1) |
Molecular Weight: | 454.27 |
Molecular Formula: | C17 H18 Br N O3 |
Salt: | HOOCCOOH |
Smiles: | COc1ccc(CNCCc2ccc3c(c2)OCO3)cc1[Br] |
Stereo: | ACHIRAL |
logP: | 3.0306 |
logD: | 1.876 |
logSw: | -3.1863 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.592 |
InChI Key: | RQPOKEOUHNXSGS-UHFFFAOYSA-N |