Basic information
- Standard SMILES
O=C(O)CCc1ccc(OCc2c(C(F)(F)F)ccn2-c2ccc(Cl)cc2)c(F)c1F- InChIKey
GWPVRSJSSJHOFR-UHFFFAOYSA-N- Molecular formula
- C21H15ClF5NO3
- Average molar mass
- 459.8 g/mol
Names & identifiers
- Preferred name
- 3-(4-{[1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrrol-2-yl]methoxy}-2,3-difluorophenyl)propanoic acid
- IUPAC
- 3-[4-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-2,3-difluorophenyl]propanoic acid
Names & synonyms
CHEMBL42035593-(4-{[1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrrol-2-yl]methoxy}-2,3-difluorophenyl)propanoic acidSCHEMBL16033690BDBM50455240
Database identifiers
- PubChem CID
- 90407263
- ChEMBL
CHEMBL4203559
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 602
Related reactions
2 records
Compound notes
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