Basic information
- Standard SMILES
NC1=N[C@@]2(COC1)c1cc(O)ccc1Oc1c(F)cc(C3=CCCOC3)cc12- InChIKey
HYKWIOBOYDGZER-NRFANRHFSA-N- Molecular formula
- C21H19FN2O4
- Average molar mass
- 382.4 g/mol
Names & identifiers
- Preferred name
- (S)-5-amino-2'-(5,6-dihydro-2H-pyran-3-yl)-4'-fluoro-2,6-dihydrospiro[[1,4]oxazine-3,9'-xanthen]-7'-ol
- IUPAC
- (3S)-5-amino-7'-(3,6-dihydro-2H-pyran-5-yl)-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
Names & synonyms
SCHEMBL2523509HYKWIOBOYDGZER-NRFANRHFSA-N(S)-5-amino-2'-(5,6-dihydro-2H-pyran-3-yl)-4'-fluoro-2,6-dihydrospiro[[1,4]oxazine-3,9'-xanthen]-7'-ol
Database identifiers
- PubChem CID
- 67438367
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 671
Related reactions
4 records
Compound notes
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