3-methyl-1-{4-[(2-nitrophenyl)methyl]piperazin-1-yl}butan-1-one--oxalic acid (1/1)
Chemical Structure Depiction of
3-methyl-1-{4-[(2-nitrophenyl)methyl]piperazin-1-yl}butan-1-one--oxalic acid (1/1)
3-methyl-1-{4-[(2-nitrophenyl)methyl]piperazin-1-yl}butan-1-one--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0476 |
| Compound Name: | 3-methyl-1-{4-[(2-nitrophenyl)methyl]piperazin-1-yl}butan-1-one--oxalic acid (1/1) |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C16 H23 N3 O3 |
| Salt: | HOOCCOOH |
| Smiles: | CC(C)CC(N1CCN(CC1)Cc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3934 |
| logD: | 2.3843 |
| logSw: | -2.5678 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.252 |
| InChI Key: | YWIYJPUHMCNQTD-UHFFFAOYSA-N |