{4-[(4-nitrophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(4-nitrophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(4-nitrophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0374 |
| Compound Name: | {4-[(4-nitrophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 505.48 |
| Molecular Formula: | C21 H25 N3 O6 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCN(CC1)Cc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.059 |
| logD: | 2.0481 |
| logSw: | -2.8531 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.787 |
| InChI Key: | VULUTERUVSESGM-UHFFFAOYSA-N |