6-Hydroxy-2-{4-[bis-(4-fluorophenyl)methyl]piperazin-1-ylcarbonyl}-1,4-benzodioxin

HCID 9804471

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

Related reactions

14 records

Compound notes

Loading…