(3aS,5S,6aR)-5-amino-N-(2-hydroxy-5-(trifluoromethyl)benzyl)hexahydro-2H-cyclopenta[b]furan-3a-carboxamide dihydrochloride
Basic information
- Standard SMILES
Cl.Cl.N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)NCc2cc(C(F)(F)F)ccc2O)C1- InChIKey
MRUAIZWQWOGMJS-OVVUFXDCSA-N- Molecular formula
- C16H21Cl2F3N2O3
- Average molar mass
- 417.2 g/mol
- Monoisotopic mass
- 416.0881324
Names & identifiers
- Preferred name
- (3aS,5S,6aR)-5-amino-N-(2-hydroxy-5-(trifluoromethyl)benzyl)hexahydro-2H-cyclopenta[b]furan-3a-carboxamide dihydrochloride
- IUPAC
- (3aS,5S,6aR)-5-amino-N-[[2-hydroxy-5-(trifluoromethyl)phenyl]methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide;dihydrochloride
Names & synonyms
(3aS,5S,6aR)-5-amino-N-(2-hydroxy-5-(trifluoromethyl)benzyl)hexahydro-2H-cyclopenta[b]furan-3a-carboxamide dihydrochlorideSCHEMBL15408222
Database identifiers
- PubChem CID
- 86708151
Properties
Computed structural properties
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 488
Related reactions
2 records
Compound notes
Loading…