(S)-3-Methyl-2-(1-oxo-6-(4-(4-(trifluoromethyl)benzamido)phenyl)isoindolin-2-yl)butanoic acid

HCID 67307752
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Basic information

Standard SMILES
CC(C)[C@@H](C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2C1=O
InChIKey
UAKKFOIEHLNJQA-QHCPKHFHSA-N
Molecular formula
C27H23F3N2O4
Average molar mass
496.5 g/mol

Names & identifiers

Preferred name
(S)-3-Methyl-2-(1-oxo-6-(4-(4-(trifluoromethyl)benzamido)phenyl)isoindolin-2-yl)butanoic acid
IUPAC
(2S)-3-methyl-2-[3-oxo-5-[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-1H-isoindol-2-yl]butanoic acid

Names & synonyms

(S)-3-Methyl-2-(1-oxo-6-(4-(4-(trifluoromethyl)benzamido)phenyl)isoindolin-2-yl)butanoic acidSCHEMBL2181500

Database identifiers

PubChem CID
67307752

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
86.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
36

Related reactions

1 records
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Compound notes

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