1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine--hydrogen chloride (1/1)
1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C301-4251 |
| Compound Name: | 1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine--hydrogen chloride (1/1) |
| Molecular Weight: | 468.86 |
| Molecular Formula: | C21 H19 F3 N4 O3 |
| Salt: | HCl |
| Smiles: | C1CN(CCN1Cc1nnc(c2ccc3c(c2)OCO3)o1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.5257 |
| logD: | 3.5256 |
| logSw: | -3.6768 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.528 |
| InChI Key: | ZNPARZBIIOGREU-UHFFFAOYSA-N |