Basic information
- Standard SMILES
CC(C)c1cccc(CNC[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1.Cl.Cl- InChIKey
FEOHHUFTCSZOBY-HUQPAIQZSA-N- Molecular formula
- C20H28Cl2F2N2O
- Average molar mass
- 421.3 g/mol
Names & identifiers
- Preferred name
- (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-isopropylbenzyl)amino]butan-2-ol Dihydrochloride
- IUPAC
- (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol;dihydrochloride
Names & synonyms
SCHEMBL3354276FEOHHUFTCSZOBY-HUQPAIQZSA-N(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-isopropylbenzyl)amino]butan-2-ol Dihydrochloride
Database identifiers
- PubChem CID
- 57487288
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 373
Related reactions
6 records
Compound notes
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