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Basic information
- Standard SMILES
Cc1cc(CCOc2ccc(-c3c(C)nc(C)c([C@H](OC(C)(C)C)C(=O)O)c3N3CCC(C)(C)CC3)cc2)ccc1F- InChIKey
SCFOBWTUZWPGJY-YTTGMZPUSA-N- Molecular formula
- C35H45FN2O4
- Average molar mass
- 576.7 g/mol
Names & identifiers
- Preferred name
- (S)-2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-(4-fluoro-3-methylphenethoxy)phenyl)-2,6-dimethylpyridin-3-yl)acetic acid
- IUPAC
- (2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluoro-3-methylphenyl)ethoxy]phenyl]-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
Names & synonyms
CHEMBL5087777SCHEMBL17006851SCFOBWTUZWPGJY-YTTGMZPUSA-N(2S)-2-tert-butoxy-2-[4-(4,4-dimethyl-1-piperidyl)-5-[4-[2-(4-fluoro-3-methyl-phenyl)ethoxy]phenyl]-2,6-dimethyl-3-pyridyl]acetic acid(S)-2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-(4-fluoro-3-methylphenethoxy)phenyl)-2,6-dimethylpyridin-3-yl)acetic acid
Database identifiers
- PubChem CID
- 118307828
- ChEMBL
CHEMBL5087777
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 860
Related reactions
1 records
Compound notes
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