(3-fluorophenyl){4-[(3-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(3-fluorophenyl){4-[(3-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
(3-fluorophenyl){4-[(3-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0243 |
| Compound Name: | (3-fluorophenyl){4-[(3-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1) |
| Molecular Weight: | 433.39 |
| Molecular Formula: | C18 H18 F N3 O3 |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)[N+]([O-])=O)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3191 |
| logD: | 2.317 |
| logSw: | -2.5497 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.809 |
| InChI Key: | AETKLSJCHVSZJZ-UHFFFAOYSA-N |