Basic information
- Standard SMILES
COc1ccccc1-c1csc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)n1- InChIKey
OTONVPIELBJHIL-UHFFFAOYSA-N- Molecular formula
- C30H29F3N2O4S
- Average molar mass
- 570.6 g/mol
- Monoisotopic mass
- 570.18001307
Names & identifiers
- Preferred name
- 2-[4-(2-{[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl][4-(trifluoromethyl)benzyl]amino}ethyl)phenoxy]-2-methylpropanoic acid
- IUPAC
- 2-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-[[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]phenoxy]-2-methylpropanoic acid
Names & synonyms
2-[4-(2-{[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl][4-(trifluoromethyl)benzyl]amino}ethyl)phenoxy]-2-methylpropanoic acidSCHEMBL4575675
Database identifiers
- PubChem CID
- 59643158
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 800
Related reactions
1 records
Compound notes
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