Basic information
- Standard SMILES
CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCc3cccc(C(=O)OC)c3)cn2)C1- InChIKey
HHDGJYNSSPMMJI-JOCHJYFZSA-N- Molecular formula
- C27H30N4O5
- Average molar mass
- 490.5 g/mol
Names & identifiers
- Preferred name
- (R)-methyl 3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)benzoate
- IUPAC
- methyl 3-[[[2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]methyl]benzoate
Names & synonyms
SCHEMBL17077571HHDGJYNSSPMMJI-JOCHJYFZSA-N(R)-methyl 3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)benzoate
Database identifiers
- PubChem CID
- 118366276
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 702
Related reactions
2 records
Compound notes
Loading…