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Basic information
- Standard SMILES
C[C@@]12C[C@@H](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
GXMLOAUEVGYRGT-OFUSBLFOSA-N- Molecular formula
- C19H17F3N2O4
- Average molar mass
- 394.3 g/mol
- Monoisotopic mass
- 394.11404151
Names & identifiers
- Preferred name
- 4-((1R,2R,4R,5S,8S,12R)-2-hydroxy-4-methyl-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-4-methyl-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-4-methyl-6-oxo-9,13-dioxa-7-azatetracyclo[6.3.1.11,4.05,12]tridec-7-yl)-2-(trifluoromethyl)benzonitrileSCHEMBL12144390
Database identifiers
- PubChem CID
- 59635865
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 766
Related reactions
1 records
Compound notes
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