Basic information
- Standard SMILES
COc1cc(C(=O)N2CC3CC(C2)CN(C(C)C)C3)cc(OC)c1OC- InChIKey
XRJVKKPOSKVAIU-UHFFFAOYSA-N- Molecular formula
- C20H30N2O4
- Average molar mass
- 362.5 g/mol
Names & identifiers
- Preferred name
- 7-Isopropyl-3-(3',4',5'-trimethoxybenzoyl)-3,7-diazabicyclo[3.3.1]nonane
- IUPAC
- (7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Names & synonyms
SCHEMBL9636708XRJVKKPOSKVAIU-UHFFFAOYSA-N7-Isopropyl-3-(3',4',5'-trimethoxybenzoyl)-3,7-diazabicyclo[3.3.1]nonane
Database identifiers
- PubChem CID
- 15035844
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 458
Related reactions
3 records
Compound notes
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