3. Computational chemical data
- Molecular Weight: 915.01922g/mol
- Molecular Formula: C17H27N3O
- Compound Is Canonicalized: True
- XLogP3-AA:
- Exact Mass: 914.48348750
- Monoisotopic Mass: 914.48348750
- Complexity: 1760
- Rotatable Bond Count: 27
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 15
- Topological Polar Surface Area: 366
- Heavy Atom Count: 64
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
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