Basic information
- Standard SMILES
Cc1cnc(F)c(-c2ccc3c(c2)[C@@]2(COC(N)=N2)c2cc(N4CCOCC4)cc(F)c2O3)c1- InChIKey
LMGGYGLJHILNLY-VWLOTQADSA-N- Molecular formula
- C25H22F2N4O3
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.1659969
Names & identifiers
- Preferred name
- (S)-4'-fluoro-7'-(2-fluoro-5-methylpyridin-3-yl)-2'-morpholino-5H-spiro[oxazole-4,9'-xanthen]-2-amine
- IUPAC
- (4S)-4'-fluoro-7'-(2-fluoro-5-methyl-3-pyridinyl)-2'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
Names & synonyms
SCHEMBL2517569LMGGYGLJHILNLY-VWLOTQADSA-N(S)-4'-fluoro-7'-(2-fluoro-5-methylpyridin-3-yl)-2'-morpholino-5H-spiro[oxazole-4,9'-xanthen]-2-amine
Database identifiers
- PubChem CID
- 58466320
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 783
Related reactions
1 records
Compound notes
Loading…