2,6-dimethoxy-4-({4-[(3-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Chemical Structure Depiction of
2,6-dimethoxy-4-({4-[(3-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
2,6-dimethoxy-4-({4-[(3-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Compound characteristics
Compound ID: | 4092-0694 |
Compound Name: | 2,6-dimethoxy-4-({4-[(3-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1) |
Molecular Weight: | 462.5 |
Molecular Formula: | C21 H28 N2 O4 |
Salt: | HOOCCOOH |
Smiles: | COc1cccc(CN2CCN(CC2)Cc2cc(c(c(c2)OC)O)OC)c1 |
Stereo: | ACHIRAL |
logP: | 1.9635 |
logD: | -0.4074 |
logSw: | -1.9167 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.795 |
InChI Key: | KMMIKCKBTJCBSL-UHFFFAOYSA-N |