1-[4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone

HCID 67090706
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Basic information

Standard SMILES
COCCOCC(=O)N1CCN(C(=O)c2ccc(C=Cc3n[nH]c4ccccc34)cc2)CC1
InChIKey
KICCLBFXIBBKGK-UHFFFAOYSA-N
Molecular formula
C25H28N4O4
Average molar mass
448.5 g/mol
Monoisotopic mass
448.21105539

Names & identifiers

Preferred name
1-[4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
IUPAC
1-[4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone

Names & synonyms

SCHEMBL1598555

Database identifiers

PubChem CID
67090706

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
87.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
33

Related reactions

1 records
New reaction record

Linked notes

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