Basic information
- Standard SMILES
COCCCC[C@@](O)(c1cccc(Cl)c1F)[C@@H]1CCCN(C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CN)C1- InChIKey
AEKDFTYWVXCCDJ-ARWJCPSXSA-N- Molecular formula
- C28H45ClFN3O4
- Average molar mass
- 542.1 g/mol
Names & identifiers
- Preferred name
- (R)-N-((2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl)-3-((S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxy-pentyl)piperidine-1-carboxamide
- IUPAC
- (3R)-N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
Names & synonyms
SCHEMBL968189AEKDFTYWVXCCDJ-ARWJCPSXSA-N(R)-N-((2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl)-3-((S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxy-pentyl)piperidine-1-carboxamide
Database identifiers
- PubChem CID
- 57786470
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 686
Related reactions
1 records
Compound notes
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