Basic information
- Standard SMILES
O=C(C1=COc2cc(O)ccc2O1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1- InChIKey
TXAYYOBTVUEUML-UHFFFAOYSA-N- Molecular formula
- C26H22F2N2O4
- Average molar mass
- 464.5 g/mol
Names & identifiers
- Preferred name
- 6-Hydroxy-2-{4-[bis-(4-fluorophenyl)methyl]piperazin-1-ylcarbonyl}-1,4-benzodioxin
- IUPAC
- [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(6-hydroxy-1,4-benzodioxin-2-yl)methanone
Names & synonyms
CHEMBL340464SCHEMBL9254614TXAYYOBTVUEUML-UHFFFAOYSA-N6-hydroxy -2-{4-[bis-(4-fluorophenyl)methyl]piperazin-1-ylcarbonyl}-1,4-benzodioxin6-Hydroxy-2-{4-[bis-(4-fluorophenyl)methyl]piperazin-1-ylcarbonyl}-1,4-benzodioxin
Database identifiers
- PubChem CID
- 9804471
- ChEMBL
CHEMBL340464- Nikkaji
- J1.677.936I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 706
Related reactions
14 records
Compound notes
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