Basic information
- Standard SMILES
CCc1ccccc1Oc1ccccc1[C@](O)(CCCCOC)[C@@H]1CCCN(C(=O)NCC(O)CN)C1- InChIKey
PFYJPSWHCBGGAH-ANFCFGEPSA-N- Molecular formula
- C29H43N3O5
- Average molar mass
- 513.7 g/mol
Names & identifiers
- Preferred name
- (3R)-3-((S)-1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-methoxypentyl)-N-(3-amino-2-hydroxypropyl)piperidine-1-carboxamide
- IUPAC
- (3R)-N-(3-amino-2-hydroxypropyl)-3-[(1S)-1-[2-(2-ethylphenoxy)phenyl]-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
Names & synonyms
SCHEMBL970175PFYJPSWHCBGGAH-ANFCFGEPSA-N(3R)-3-((S)-1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-methoxypentyl)-N-(3-amino-2-hydroxypropyl)piperidine-1-carboxamide
Database identifiers
- PubChem CID
- 57786506
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 667
Related reactions
1 records
Compound notes
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