5-Amino-5'-fluoro-7'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol

HCID 89709356
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Basic information

Standard SMILES
CC1(C#Cc2cc(F)c3c(c2)C2(COCC(N)=N2)c2cc(O)ccc2O3)COC1
InChIKey
VQAIHCWVBKNVKZ-UHFFFAOYSA-N
Molecular formula
C22H19FN2O4
Average molar mass
394.4 g/mol
Monoisotopic mass
394.13288525

Names & identifiers

Preferred name
5-Amino-5'-fluoro-7'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
IUPAC
5-amino-5'-fluoro-7'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol

Names & synonyms

SCHEMBL15134947

Database identifiers

PubChem CID
89709356

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
86.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
29

Related reactions

1 records
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Compound notes

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