Basic information
- Standard SMILES
CC(C)[C@@H](C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)cc2C1=O- InChIKey
JTBCEELPBZJAJD-QHCPKHFHSA-N- Molecular formula
- C26H23FN2O4
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-(6-(4-(3-Fluorobenzamido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acid
- IUPAC
- (2S)-2-[5-[4-[(3-fluorobenzoyl)amino]phenyl]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoic acid
Names & synonyms
SCHEMBL2178388JTBCEELPBZJAJD-QHCPKHFHSA-N(S)-2-(6-(4-(3-Fluorobenzamido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acid
Database identifiers
- PubChem CID
- 67306243
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 736
Related reactions
1 records
Compound notes
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