Basic information
- Standard SMILES
OC[C@@H](NC[C@@H](O)COc1ccccc1)[C@@H](OCc1ccccc1)[C@H](Cc1cc(F)cc(F)c1)N(Cc1ccccc1)Cc1ccccc1- InChIKey
NPZVUHDNMILQID-RAIFVJEBSA-N- Molecular formula
- C41H44F2N2O4
- Average molar mass
- 666.8 g/mol
Names & identifiers
- Preferred name
- (2R,3R,4S)-3-benzyloxy-4-dibenzylamino-5-(3,5-difluoro-phenyl)-2-((R)-2-hydroxy-3-phenoxypropylamino)-pentan-1-ol
- IUPAC
- (2R,3R,4S)-4-(dibenzylamino)-5-(3,5-difluorophenyl)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-3-phenylmethoxypentan-1-ol
Names & synonyms
SCHEMBL3239061NPZVUHDNMILQID-RAIFVJEBSA-N(2R,3R,4S)-3-benzyloxy-4-dibenzylamino-5-(3,5-difluoro-phenyl)-2-((R)-2-hydroxy-3-phenoxypropylamino)-pentan-1-ol
Database identifiers
- PubChem CID
- 68561817
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 832
Related reactions
1 records
Compound notes
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