1-(3-Phenoxyanilino)-4-(4-pyridylmethyl)phthalazine

HCID 22742003
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Basic information

Standard SMILES
c1ccc(Oc2cccc(Nc3nnc(Cc4ccncc4)c4ccccc34)c2)cc1
InChIKey
JFRXNKLHPKMAHC-UHFFFAOYSA-N
Molecular formula
C26H20N4O
Average molar mass
404.5 g/mol

Names & identifiers

Preferred name
1-(3-Phenoxyanilino)-4-(4-pyridylmethyl)phthalazine
IUPAC
N-(3-phenoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

Names & synonyms

SCHEMBL905654JFRXNKLHPKMAHC-UHFFFAOYSA-N1-(3-Phenoxyanilino)-4-(4-pyridylmethyl)phthalazine

Database identifiers

PubChem CID
22742003

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
59.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
31

Related reactions

3 records
New reaction record

Linked notes

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