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

HCID 67437656
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Basic information

Standard SMILES
NC1=N[C@@]2(COC1)c1cc(O)ccc1Oc1c(F)cc(Br)cc12
InChIKey
GJTBVGMEABXNGX-INIZCTEOSA-N
Molecular formula
C16H12BrFN2O3
Average molar mass
379.18 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL2521434GJTBVGMEABXNGX-INIZCTEOSA-N(S)-5-amino-2'-bromo-4'-fluoro-2,6-dihydrospiro[[1,4]oxazine-3,9'-xanthen]-7'-ol

Database identifiers

PubChem CID
67437656

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
77.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
23

Related reactions

18 records
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Compound notes

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