(1s,5s)-1,5-dibenzoyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane

• ChemBase ID: 182512
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: [C@]12(C[C@](C(=O)c3ccccc3)(CN(C2)C)CN(C1)C)C(=O)c1ccccc1
• Canonical SMILES: CN1C[C@@]2(CN(C[C@](C1)(C2)C(=O)c1ccccc1)C)C(=O)c1ccccc1
• InChI: InChI=1S/C23H26N2O2/c1-24-14-22(20(26)18-9-5-3-6-10-18)13-23(15-24,17-25(2)16-22)21(27)19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3/t22-,23+
• InChIKey: XLTCWWYMHRPXER-ZRZAMGCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1s,5s)-1,5-dibenzoyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane
• IUPAC Traditional name: (1s,5s)-1,5-dibenzoyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane

Database IDs

• PubChem SID: 164238422
• PubChem CID: 547407

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.43842268
• LogD (pH = 7.4): 1.9560299
• Log P: 3.0841274
• Molar Refractivity: 107.953 cm^3
• Polarizability: 41.89812 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds