2,3-Dihydro-1,4-benzodioxin-3-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
Basic information
- CAS
795292-08-9- Standard SMILES
O=C(C1COc2ccccc2O1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1- InChIKey
SLRHCEBKLSEGKQ-UHFFFAOYSA-N- Molecular formula
- C19H18F3N3O3
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.13002593
Names & identifiers
- Preferred name
- 2,3-Dihydro-1,4-benzodioxin-3-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
- IUPAC
- 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
Names & synonyms
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanoneMLS002249207CHEMBL1720158DTXSID801326639HMS3046H11AKOS017044256795292-08-9SMR001316654Z27280650(2,3-Dihydro-1,4-benzodioxin-2-yl){4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methanone
Database identifiers
- CAS
795292-08-9- PubChem CID
- 4878095
- DTXSID
DTXSID801326639- ChEMBL
CHEMBL1720158
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 554
Experimental & physicochemical properties
Solubility16.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…