Basic information
- Standard SMILES
CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCc3cccc(C(=O)O)c3)cn2)C1- InChIKey
IDVOZBCJUVAIMF-OAQYLSRUSA-N- Molecular formula
- C26H28N4O5
- Average molar mass
- 476.5 g/mol
Names & identifiers
- Preferred name
- (R)-3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)benzoic acid
- IUPAC
- 3-[[[2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]methyl]benzoic acid
Names & synonyms
1809064-23-0PF-06427878(R)-3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)benzoic acidorb1739320CHEMBL5179535SCHEMBL17077562IDVOZBCJUVAIMF-OAQYLSRUSA-NUS10188653, Example 1BDBM323589JXC06423EBC-498082
Database identifiers
- PubChem CID
- 118366267
- ChEMBL
CHEMBL5179535
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 687
Related reactions
2 records
Compound notes
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