Basic information
- Standard SMILES
NC1=NC2(COC1)c1cc(-c3cccnc3F)ccc1Oc1c(F)cc(O)cc12- InChIKey
XAVXDGYDTOXBBQ-UHFFFAOYSA-N- Molecular formula
- C21H15F2N3O3
- Average molar mass
- 395.4 g/mol
Names & identifiers
- Preferred name
- 5-Amino-4'-fluoro-7'-(2-fluoropyridin-3-yl)-2,6-dihydrospiro[[1,4]oxazine-3,9'-xanthen]-2'-ol
- IUPAC
- 5-amino-4'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
Names & synonyms
SCHEMBL2528340XAVXDGYDTOXBBQ-UHFFFAOYSA-N5-amino-4'-fluoro-7'-(2-fluoropyridin-3-yl)-2,6-dihydrospiro[[1,4]oxazine-3,9'-xanthen]-2'-ol
Database identifiers
- PubChem CID
- 67440122
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 653
Related reactions
10 records
Compound notes
Loading…