N-pyridazin-3-yl-4-{3-[4-(2,2,2-trifluoroethoxy)phenoxy]benzylidene}piperidine-1-carboxamide

HCID 66876005
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Basic information

Standard SMILES
O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(OCC(F)(F)F)cc3)c2)CC1
InChIKey
CFEQIIWXPNBZHW-UHFFFAOYSA-N
Molecular formula
C25H23F3N4O3
Average molar mass
484.5 g/mol
Monoisotopic mass
484.17222509

Names & identifiers

Preferred name
N-pyridazin-3-yl-4-{3-[4-(2,2,2-trifluoroethoxy)phenoxy]benzylidene}piperidine-1-carboxamide
IUPAC
N-pyridazin-3-yl-4-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]methylidene]piperidine-1-carboxamide

Names & synonyms

N-pyridazin-3-yl-4-{3-[4-(2,2,2-trifluoroethoxy)phenoxy]benzylidene}piperidine-1-carboxamideSCHEMBL1011165

Database identifiers

PubChem CID
66876005

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
76.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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