{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-methoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-methoxyphenyl)methanone--oxalic acid (1/1)
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-methoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0420 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-methoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C20 H22 N2 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cccc(c1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2675 |
| logD: | 2.076 |
| logSw: | -2.6856 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.086 |
| InChI Key: | HXEGMSLSWMUDOI-UHFFFAOYSA-N |