{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2,3-dimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2,3-dimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2,3-dimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-0361 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2,3-dimethoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 474.47 |
| Molecular Formula: | C21 H24 N2 O5 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cccc(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2768 |
| logD: | 2.0852 |
| logSw: | -3.0721 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.89 |
| InChI Key: | YNLLOLKAVIGPCL-UHFFFAOYSA-N |