{4-[(3-phenoxyphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(3-phenoxyphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(3-phenoxyphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3701-0319 |
| Compound Name: | {4-[(3-phenoxyphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 552.58 |
| Molecular Formula: | C27 H30 N2 O5 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8113 |
| logD: | 3.7617 |
| logSw: | -4.1266 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.153 |
| InChI Key: | LWXSCXICYCJVAM-UHFFFAOYSA-N |