(4-nitrophenyl){4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(4-nitrophenyl){4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
(4-nitrophenyl){4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | Y511-5445 |
| Compound Name: | (4-nitrophenyl){4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1) |
| Molecular Weight: | 505.48 |
| Molecular Formula: | C21 H25 N3 O6 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)C(c2ccc(cc2)[N+]([O-])=O)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.005 |
| logD: | 0.7874 |
| logSw: | -2.78 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.79 |
| InChI Key: | AXIFXCYLEQSLTN-UHFFFAOYSA-N |