Basic information
- Standard SMILES
CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)N[C@H](C)c3cccc(C(=O)OC)c3)cn2)C1- InChIKey
LXSJTIKXKMXAJV-AUSIDOKSSA-N- Molecular formula
- C28H32N4O5
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- methyl 3-((R)-1-(2-((R)-3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)ethyl)benzoate
- IUPAC
- methyl 3-[(1R)-1-[[2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]ethyl]benzoate
Names & synonyms
SCHEMBL17077520LXSJTIKXKMXAJV-AUSIDOKSSA-Nmethyl 3-((R)-1-(2-((R)-3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)ethyl)benzoate
Database identifiers
- PubChem CID
- 118366227
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 731
Related reactions
2 records
Compound notes
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