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N-[1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)furan-2-carboxamide

HCID 76576541
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1oc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1-c1ccnn1C
InChIKey
WFHGVLYGNOBEJS-UHFFFAOYSA-N
Molecular formula
C28H23F3N4O4
Average molar mass
536.5 g/mol

Names & identifiers

Preferred name
N-[1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)furan-2-carboxamide
IUPAC
N-[1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)furan-2-carboxamide

Names & synonyms

WFHGVLYGNOBEJS-UHFFFAOYSA-NOCID190055257306

Database identifiers

PubChem CID
76576541

Properties

Computed structural propertiesFilling in

XLogP
4.6
Topological polar surface area
97.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
39
Formal charge
0
Complexity
909

Related reactions

1 records
New reaction record
HRID 140576 reaction equation
HRID 140576As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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