2,4-Bis(4-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-one
Basic information
- CAS
34025-60-0- Standard SMILES
O=C1C2CCCC1C(c1ccc(Cl)cc1)NC2c1ccc(Cl)cc1- InChIKey
PORVTVGCOCXZTB-UHFFFAOYSA-N- Molecular formula
- C20H19Cl2NO
- Average molar mass
- 360.3 g/mol
- Monoisotopic mass
- 359.0843696
Names & identifiers
- Preferred name
- 2,4-Bis(4-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-one
- IUPAC
- 2,4-bis(4-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-one
Names & synonyms
2,4-bis(4-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-oneNSC29552334025-60-0Oprea1_441203Oprea1_572632DTXSID00315585NSC-295523
Database identifiers
- CAS
34025-60-0- PubChem CID
- 325918
- DTXSID
DTXSID00315585- Nikkaji
- J2.625.346B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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