Basic information
- Standard SMILES
O=C(Nc1ccc(-c2ccc3c(c2)C(=O)N(C2(C(=O)O)CCC2)C3)cc1)c1ccc(C(F)(F)F)cc1- InChIKey
ICZYHALNMRTLOR-UHFFFAOYSA-N- Molecular formula
- C27H21F3N2O4
- Average molar mass
- 494.5 g/mol
Names & identifiers
- Preferred name
- 1-(1-Oxo-6-(4-(4-(trifluoromethyl)benzamido)phenyl)isoindolin-2-yl)cyclo butane carboxylic acid
- IUPAC
- 1-[3-oxo-5-[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-1H-isoindol-2-yl]cyclobutane-1-carboxylic acid
Names & synonyms
1-(1-Oxo-6-(4-(4-(trifluoromethyl)benzamido)phenyl)isoindolin-2-yl)cyclo butane carboxylic acidSCHEMBL2181794
Database identifiers
- PubChem CID
- 67307889
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 858
Related reactions
1 records
Compound notes
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