Basic information
- Standard SMILES
C[C@H](N1CCC(CCO)(c2ccc(F)cc2)OC1=O)C(C)(C)C- InChIKey
YHZCZJZJHBLECE-FVRDMJKUSA-N- Molecular formula
- C18H26FNO3
- Average molar mass
- 323.4 g/mol
Names & identifiers
- Preferred name
- 3-((2S)-3,3-dimethylbutan-2-yl)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
- IUPAC
- 3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL2546764YHZCZJZJHBLECE-FVRDMJKUSA-N3-((2S)-3,3-dimethylbutan-2-yl)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 42642284
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Related reactions
4 records
Compound notes
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