[Rac]-2-{6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-propionic acid

HCID 11626159
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Basic information

Standard SMILES
CC(C(=O)O)n1ccc2ccc(OCCCC#Cc3ccc(OC(F)(F)F)cc3)cc21
InChIKey
XRVMWHBXRXDBPK-UHFFFAOYSA-N
Molecular formula
C23H20F3NO4
Average molar mass
431.4 g/mol

Names & identifiers

Preferred name
[Rac]-2-{6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-propionic acid
IUPAC
2-[6-[5-[4-(trifluoromethoxy)phenyl]pent-4-ynoxy]indol-1-yl]propanoic acid

Names & synonyms

[rac]-2-{6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-propionic acidSCHEMBL1378767

Database identifiers

PubChem CID
11626159

Properties

Computed structural properties

XLogP
6
Topological polar surface area
60.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
31

Related reactions

1 records
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Compound notes

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