Basic information
- CAS
1098-69-7- Standard SMILES
O=C(c1ccccc1)N1CC2CCC1CN2C(=O)c1ccccc1- InChIKey
UXMQOMVOTBFRSO-UHFFFAOYSA-N- Molecular formula
- C20H20N2O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.15247789
Names & identifiers
- Preferred name
- (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone
- IUPAC
- (5-benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone
Names & synonyms
1098-69-7NSC265208(5-benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanoneDTXSID90330484NSC-265208(2,5-Diazabicyclo[2.2.2]octane-2,5-diyl)bis(phenylmethanone)
Database identifiers
- CAS
1098-69-7- PubChem CID
- 429795
- DTXSID
DTXSID90330484
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…