(S)-5-amino-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-2,6-dihydrospiro[[1,4]oxazine-3,9'-xanthen]-7'-ol

HCID 67438060
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Basic information

Standard SMILES
NC1=N[C@@]2(COC1)c1cc(O)ccc1Oc1c(F)cc(C3=CCOCC3)cc12
InChIKey
XBGMKLCVHUYRND-NRFANRHFSA-N
Molecular formula
C21H19FN2O4
Average molar mass
382.4 g/mol

Names & identifiers

Preferred name
(S)-5-amino-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-2,6-dihydrospiro[[1,4]oxazine-3,9'-xanthen]-7'-ol
IUPAC
(3S)-5-amino-7'-(3,6-dihydro-2H-pyran-4-yl)-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol

Names & synonyms

SCHEMBL2522533XBGMKLCVHUYRND-NRFANRHFSA-N(S)-5-amino-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-2,6-dihydrospiro[[1,4]oxazine-3,9'-xanthen]-7'-ol

Database identifiers

PubChem CID
67438060

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

Related reactions

2 records
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Compound notes

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