Basic information
- CAS
4208-23-5- Standard SMILES
COCCN1CC2(c3ccccc3)CN(CCOC)CC(c3ccccc3)(C1)C2=O- InChIKey
PRSDQECHDQYLMW-UHFFFAOYSA-N- Molecular formula
- C25H32N2O3
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.24129289
Names & identifiers
- Preferred name
- 3,7-Diazabicyclo(3.3.1)nonan-9-one, 3,7-bis(2-methoxyethyl)-1,5-diphenyl-
- IUPAC
- 3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Names & synonyms
4208-23-53,7-Bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo(3.3.1)nonan-9-one3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-oneI.S. 3224BRN 07695463,7-DIAZABICYCLO(3.3.1)NONAN-9-ONE, 3,7-BIS(2-METHOXYETHYL)-1,5-DIPHENYL-DTXSID001949185-24-04-00467 (Beilstein Handbook Reference)RefChem:272509DTXCID40117409AKOS024278498ST023375
Database identifiers
- CAS
4208-23-5- PubChem CID
- 20180
- DTXSID
DTXSID00194918- Nikkaji
- J68.395G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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