US9249085, I(ag)
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Basic information
- Standard SMILES
Cc1cc(-c2cccc(F)c2)cc(CNc2c(C)ccc(OCC(=O)O)c2C)c1F- InChIKey
VUBLENMWXNJCFL-UHFFFAOYSA-N- Molecular formula
- C24H23F2NO3
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.16459992
Names & identifiers
- Preferred name
- US9249085, I(ag)
- IUPAC
- 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid
Names & synonyms
CHEMBL3911129SCHEMBL14783712VUBLENMWXNJCFL-UHFFFAOYSA-NBDBM204973US9249085, I(ag)2-[3-[[2-Fluoro-5-(3-fluorophenyl)-3-methyl-phenyl]methylamino]-2,4-dimethyl-phenoxy]acetic acid
Database identifiers
- PubChem CID
- 89443554
- ChEMBL
CHEMBL3911129
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 563
Related reactions
1 records
Compound notes
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