Basic information
- Standard SMILES
CC(C)(C)COc1ccc2c(c1)C1(COCC(=O)N1)c1cc(Br)ccc1O2- InChIKey
MSMKOWUDZXRSSI-UHFFFAOYSA-N- Molecular formula
- C21H22BrNO4
- Average molar mass
- 432.3 g/mol
- Monoisotopic mass
- 431.07322
Names & identifiers
- IUPAC
- 2'-bromo-7'-(2,2-dimethylpropoxy)spiro[morpholine-5,9'-xanthene]-3-one
Database identifiers
- PubChem CID
- 77292100
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 565
Related reactions
1 records
Compound notes
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