2-[(4-Pentylphenyl)methyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoic acid

HCID 67005273
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Basic information

Standard SMILES
CCCCCc1ccc(CN(C(=O)C=Cc2ccc(C(F)(F)F)cc2)C(Cc2ccccc2)C(=O)O)cc1
InChIKey
JMJDIQJVZDADEJ-UHFFFAOYSA-N
Molecular formula
C31H32F3NO3
Average molar mass
523.6 g/mol
Monoisotopic mass
523.23342837

Names & identifiers

Preferred name
2-[(4-Pentylphenyl)methyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoic acid
IUPAC
2-[(4-pentylphenyl)methyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoic acid

Names & synonyms

SCHEMBL1361245

Database identifiers

PubChem CID
67005273

Properties

Computed structural properties

XLogP
8.2
Topological polar surface area
57.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
38

Related reactions

2 records
New reaction record

Compound notes

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