5-{[4-(3-Fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)hexylidene]amino}-2-methylphthalazin-1-one

HCID 66969476
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Basic information

Standard SMILES
CCC(CC(O)(C=Nc1cccc2c(=O)n(C)ncc12)C(F)(F)F)c1cccc(F)c1OC
InChIKey
OKUVPMPXTPAHSI-UHFFFAOYSA-N
Molecular formula
C23H23F4N3O3
Average molar mass
465.4 g/mol

Names & identifiers

Preferred name
5-{[4-(3-Fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)hexylidene]amino}-2-methylphthalazin-1-one
IUPAC
5-[[4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)hexylidene]amino]-2-methylphthalazin-1-one

Names & synonyms

5-{[4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)hexylidene]amino}-2-methylphthalazin-1-oneSCHEMBL1261632SCHEMBL1261633SCHEMBL1261634

Database identifiers

PubChem CID
66969476

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
74.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

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