7-bromo-8-fluoro-3-(3-methoxy-3-methylbut-1-ynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine
Basic information
- Standard SMILES
COC(C)(C)C#Cc1cnc2c(c1)C1(COC(N)=N1)c1cc(Br)c(F)cc1O2- InChIKey
ARCZGIFGTFNZAZ-UHFFFAOYSA-N- Molecular formula
- C20H17BrFN3O3
- Average molar mass
- 446.3 g/mol
Names & identifiers
- Preferred name
- 7-bromo-8-fluoro-3-(3-methoxy-3-methylbut-1-ynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine
- IUPAC
- 7'-bromo-8'-fluoro-3'-(3-methoxy-3-methylbut-1-ynyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
Names & synonyms
SCHEMBL2382319ARCZGIFGTFNZAZ-UHFFFAOYSA-N7-bromo-8-fluoro-3-(3-methoxy-3-methylbut-1-ynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine
Database identifiers
- PubChem CID
- 67387366
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 720
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Related reactions
1 records
Compound notes
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