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4-(1,4-dimethylpyrazol-5-yl)-N-[1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-ethylthiophene-2-carboxamide

HCID 76576552
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1sc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1-c1c(C)cnn1C
InChIKey
GUGORRYVEQHJQK-UHFFFAOYSA-N
Molecular formula
C30H27F3N4O3S
Average molar mass
580.6 g/mol
Monoisotopic mass
580.1755964

Names & identifiers

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

Names & synonyms

GUGORRYVEQHJQK-UHFFFAOYSA-NOCID190055257317

Database identifiers

PubChem CID
76576552

Properties

Computed structural propertiesFilling in

XLogP
6
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
41
Formal charge
0
Complexity
959

Related reactions

1 records
New reaction record
HRID 676839 reaction equation
HRID 676839As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes