Basic information
- CAS
1927-18-0- Standard SMILES
CN1C2CC(OC(=O)C(COC(=O)c3ccccc3)c3ccccc3)CC1C1OC12- InChIKey
PYIZRLUJDRRXLD-UHFFFAOYSA-N- Molecular formula
- C24H25NO5
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.1732729
Names & identifiers
- Preferred name
- 3-[(9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl)oxy]-3-oxo-2-phenylpropyl benzoate
- IUPAC
- [3-[(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]-3-oxo-2-phenylpropyl] benzoate
Names & synonyms
3-[(9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl)oxy]-3-oxo-2-phenylpropyl benzoateDTXSID00940937
Database identifiers
- CAS
1927-18-0- PubChem CID
- 31082
- DTXSID
DTXSID00940937
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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