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N-[4-anilino-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide (HCID 22741995)|Huagongshe
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Compound
N-[4-anilino-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide
HCID
22741995
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Properties
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Basic information
Standard SMILES
CC(=O)Nc1ccc2c(Cc3ccncc3)nnc(Nc3ccccc3)c2c1
InChIKey
AXVMRIYHSKKIHH-UHFFFAOYSA-N
Molecular formula
C22H19N5O
Average molar mass
369.4 g/mol
Names & identifiers
Preferred name
N-[4-anilino-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide
IUPAC
N-[4-anilino-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide
Names & synonyms
SCHEMBL8199026
Database identifiers
PubChem CID
22741995
Properties
Computed structural properties
XLogP
3
Topological polar surface area
79.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Formal charge
0
Complexity
503
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Related reactions
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As solvent
HRID
97963
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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