Basic information
- Standard SMILES
CC(C)(F)COc1cc(F)c2c(c1)[C@]1(CCOC(N)=N1)c1cc(-c3cccnc3F)ccc1O2- InChIKey
MIKGANVOJZUQSU-VWLOTQADSA-N- Molecular formula
- C25H22F3N3O3
- Average molar mass
- 469.5 g/mol
Names & identifiers
- Preferred name
- (S)-4'-fluoro-2'-(2-fluoro-2-methylpropoxy)-7'-(2-fluoropyridin-3-yl)-5,6-dihydrospiro[[1,3]oxazine-4,9'-xanthen]-2-amine
- IUPAC
- (4S)-4'-fluoro-2'-(2-fluoro-2-methylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,9'-xanthene]-2-amine
Names & synonyms
SCHEMBL2525944MIKGANVOJZUQSU-VWLOTQADSA-N(S)-4'-fluoro-2'-(2-fluoro-2-methylpropoxy)-7'-(2-fluoropyridin-3-yl)-5,6-dihydrospiro[[1,3]oxazine-4,9'-xanthen]-2-amine
Database identifiers
- PubChem CID
- 58465950
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 771
Related reactions
3 records
Compound notes
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