(1S,5R,6R)-3-butyl-6,7-bis(2-hydroxyphenyl)-3-azabicyclo[3.2.0]heptane-2,4-dione
Basic information
- CAS
84319-81-3- Standard SMILES
CCCCN1C(=O)[C@@H]2[C@H](c3ccccc3O)C(c3ccccc3O)[C@@H]2C1=O- InChIKey
DRACQDOCSQYGGW-XUBOLADHSA-N- Molecular formula
- C22H23NO4
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.16270821
Names & identifiers
- Preferred name
- (1S,5R,6R)-3-butyl-6,7-bis(2-hydroxyphenyl)-3-azabicyclo[3.2.0]heptane-2,4-dione
- IUPAC
- (1S,5R,6R)-3-butyl-6,7-bis(2-hydroxyphenyl)-3-azabicyclo[3.2.0]heptane-2,4-dione
Names & synonyms
NSC367614NSC-367614
Database identifiers
- CAS
84319-81-3- PubChem CID
- 339771
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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