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

• ChemBase ID: 181185
• Molecular Formular: C21H22N2O2
• Molecular Mass: 334.41158
• Monoisotopic Mass: 334.16812795
• SMILES: [C@]12(C[C@](C(=O)c3ccccc3)(CNC2)CNC1)C(=O)c1ccccc1
• Canonical SMILES: O=C([C@]12CNC[C@@](C2)(CNC1)C(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H22N2O2/c24-18(16-7-3-1-4-8-16)20-11-21(14-22-12-20,15-23-13-20)19(25)17-9-5-2-6-10-17/h1-10,22-23H,11-15H2/t20-,21+
• InChIKey: FUNIALIPPOFMBT-OYRHEFFESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164237095
• PubChem CID: 24102856

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.422934
• LogD (pH = 7.4): 0.13192254
• Log P: 2.3180315
• Molar Refractivity: 97.3636 cm^3
• Polarizability: 38.20838 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds