Basic information
- Standard SMILES
C[C@@H]1CN(c2c(CO)cc3c(N)noc3c2F)C[C@H](C)O1- InChIKey
GRSTVKUBZYXSAB-OCAPTIKFSA-N- Molecular formula
- C14H18FN3O3
- Average molar mass
- 295.31 g/mol
Names & identifiers
- Preferred name
- {3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzisoxazol-5-yl}methanol
- IUPAC
- [3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol
Names & synonyms
SCHEMBL2310576GRSTVKUBZYXSAB-OCAPTIKFSA-N{3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzisoxazol-5-yl}methanol
Database identifiers
- PubChem CID
- 67359017
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Related reactions
6 records
Compound notes
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