{4-[(2-methylphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(2-methylphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
{4-[(2-methylphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0489 |
| Compound Name: | {4-[(2-methylphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C19 H21 N3 O3 |
| Salt: | HOOCCOOH |
| Smiles: | Cc1ccccc1CN1CCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1166 |
| logD: | 3.1072 |
| logSw: | -3.0897 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.809 |
| InChI Key: | SIPLCMPYQSANLN-UHFFFAOYSA-N |