(2H-1,3-benzodioxol-5-yl)(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methanone--hydrogen chloride (1/1)
(2H-1,3-benzodioxol-5-yl)(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y502-4440 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 428.84 |
| Molecular Formula: | C20 H19 F3 N2 O3 |
| Salt: | HCl |
| Smiles: | C1CN(CCN1Cc1cccc(c1)C(F)(F)F)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0134 |
| logD: | 3.0116 |
| logSw: | -3.1976 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.543 |
| InChI Key: | MCTUTXUTUJOXEY-UHFFFAOYSA-N |