(S)-2-(6-(4-(4-Butoxybenzamido)-2-(trifluoromethyl)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acid
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Basic information
- Standard SMILES
CCCCOc1ccc(C(=O)Nc2ccc(-c3ccc4c(c3)C(=O)N([C@H](C(=O)O)C(C)C)C4)c(C(F)(F)F)c2)cc1- InChIKey
SODRUBMTZGJGTP-MHZLTWQESA-N- Molecular formula
- C31H31F3N2O5
- Average molar mass
- 568.6 g/mol
Names & identifiers
- Preferred name
- (S)-2-(6-(4-(4-Butoxybenzamido)-2-(trifluoromethyl)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acid
- IUPAC
- (2S)-2-[5-[4-[(4-butoxybenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoic acid
Names & synonyms
(S)-2-(6-(4-(4-Butoxybenzamido)-2-(trifluoromethyl)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acidSCHEMBL13718578
Database identifiers
- PubChem CID
- 70975166
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 920
Related reactions
1 records
Compound notes
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