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Basic information
- Standard SMILES
CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(Br)ccc1O2- InChIKey
MLYXFJULRIOUDF-FQEVSTJZSA-N- Molecular formula
- C20H21BrN2O3
- Average molar mass
- 417.3 g/mol
Names & identifiers
- Preferred name
- (R)-2'-bromo-7'-(neopentyloxy)-5H-spiro[oxazole-4,9'-xanthen]-2-amine
- IUPAC
- (4R)-2'-bromo-7'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
Names & synonyms
SCHEMBL1995584MLYXFJULRIOUDF-FQEVSTJZSA-N(R)-2'-bromo-7'-(neopentyloxy)-5H-spiro[oxazole-4,9'-xanthen]-2-amine(4R)-2'-bromo-7'-(2,2-dimethylpropoxy)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
Database identifiers
- PubChem CID
- 58466128
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Related reactions
11 records
Compound notes
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