Basic information
- Standard SMILES
CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCc3cc(C(=O)O)ccc3OC)cn2)C1- InChIKey
FBLZSMYHSOINDK-OAQYLSRUSA-N- Molecular formula
- C27H30N4O6
- Average molar mass
- 506.5 g/mol
Names & identifiers
- Preferred name
- US10188653, Example 11
- IUPAC
- 3-[[[2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]methyl]-4-methoxybenzoic acid
Names & synonyms
CHEMBL5860753SCHEMBL17077483FBLZSMYHSOINDK-OAQYLSRUSA-NBDBM323622US10188653, Example 11(R)-3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)-4-methoxybenzoic acid
Database identifiers
- PubChem CID
- 118366191
- ChEMBL
CHEMBL5860753
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 734
Related reactions
1 records
Compound notes
Loading…