1-{2-[(4-methoxy-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-{2-[(4-methoxy-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine--hydrogen chloride (1/1)
1-{2-[(4-methoxy-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 5408-1547 |
| Compound Name: | 1-{2-[(4-methoxy-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine--hydrogen chloride (1/1) |
| Molecular Weight: | 453.8 |
| Molecular Formula: | C16 H18 F3 N5 O5 |
| Salt: | HCl |
| Smiles: | COc1c(non1)OCCN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.5073 |
| logD: | 3.387 |
| logSw: | -3.8688 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 92.084 |
| InChI Key: | PYXJQLAQBQQEME-UHFFFAOYSA-N |