4-((1R,2R,4R,5S,8S,12R)-2-hydroxy-2,4-dimethyl-6-oxo-9,13-dioxa-7-azatetracyclo[6.3.1.11,4.05,12]tridec-7-yl)-2-(trifluoromethyl)benzonitrile
Basic information
- Standard SMILES
C[C@@]12C[C@@](C)(O)[C@]3(CCO[C@H]4[C@@H]3[C@@H]1C(=O)N4c1ccc(C#N)c(C(F)(F)F)c1)O2- InChIKey
MUVYDCXCUZHUPW-VCNPHKBZSA-N- Molecular formula
- C20H19F3N2O4
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.12969158
Names & identifiers
- Preferred name
- 4-((1R,2R,4R,5S,8S,12R)-2-hydroxy-2,4-dimethyl-6-oxo-9,13-dioxa-7-azatetracyclo[6.3.1.11,4.05,12]tridec-7-yl)-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-[(1R,2R,4R,5S,8S,12R)-2-hydroxy-2,4-dimethyl-6-oxo-9,13-dioxa-7-azatetracyclo[6.3.1.11,4.05,12]tridecan-7-yl]-2-(trifluoromethyl)benzonitrile
Names & synonyms
4-((1R,2R,4R,5S,8S,12R)-2-hydroxy-2,4-dimethyl-6-oxo-9,13-dioxa-7-azatetracyclo[6.3.1.11,4.05,12]tridec-7-yl)-2-(trifluoromethyl)benzonitrileSCHEMBL12144596
Database identifiers
- PubChem CID
- 59635854
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 811
Related reactions
1 records
Compound notes
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