Basic information
- Standard SMILES
NC1=N[C@@]2(CO1)c1cc(OS(=O)(=O)C(F)(F)F)ccc1Oc1c(F)cc(N3CCOCC3)cc12- InChIKey
NGVBQQRSEKHZSD-IBGZPJMESA-N- Molecular formula
- C20H17F4N3O6S
- Average molar mass
- 503.4 g/mol
- Monoisotopic mass
- 503.07741909
Names & identifiers
- Preferred name
- (S)-2-amino-4'-fluoro-2'-morpholino-5H-spiro[oxazole-4,9'-xanthene]-7'-yl trifluoromethanesulfonate
- IUPAC
- [(4S)-2-amino-5'-fluoro-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl] trifluoromethanesulfonate
Names & synonyms
(S)-2-amino-4'-fluoro-2'-morpholino-5H-spiro[oxazole-4,9'-xanthene]-7'-yl trifluoromethanesulfonateSCHEMBL2521862
Database identifiers
- PubChem CID
- 86658488
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 909
Related reactions
2 records
Compound notes
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