2-Ethoxy-3-[4-[2-[4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]phenyl]ethoxy]phenyl]propanoic acid

HCID 22988751
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Basic information

Standard SMILES
CCOC(Cc1ccc(OCCc2ccc(NC(=O)Nc3ccc(SC(F)(F)F)cc3)cc2)cc1)C(=O)O
InChIKey
ZTZVWMIDMWPCIR-UHFFFAOYSA-N
Molecular formula
C27H27F3N2O5S
Average molar mass
548.6 g/mol
Monoisotopic mass
548.15927763

Names & identifiers

Preferred name
2-Ethoxy-3-[4-[2-[4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]phenyl]ethoxy]phenyl]propanoic acid
IUPAC
2-ethoxy-3-[4-[2-[4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]phenyl]ethoxy]phenyl]propanoic acid

Names & synonyms

SCHEMBL5993803ZTZVWMIDMWPCIR-UHFFFAOYSA-N2-ethoxy-3-[4-[2-[4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]phenyl]ethoxy]phenyl]propanoic acid

Database identifiers

PubChem CID
22988751

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
122 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
12
Heavy atoms
38

Related reactions

1 records
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Compound notes

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