(1S,5R)-3-(2,2-diphenylethyl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane

• ChemBase ID: 678473
• Molecular Formular: C24H32N2O
• Molecular Mass: 364.52368
• Monoisotopic Mass: 364.25146365
• SMILES: N1(CC(c2ccccc2)c2ccccc2)C[C@@H]2N(C[C@H](C1)CC2)CCOC
• Canonical SMILES: COCCN1C[C@H]2CC[C@@H]1CN(C2)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H32N2O/c1-27-15-14-26-17-20-12-13-23(26)18-25(16-20)19-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,20,23-24H,12-19H2,1H3/t20-,23+/m0/s1
• InChIKey: RJOASDIHSBIVJB-NZQKXSOJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,5R)-3-(2,2-diphenylethyl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
• IUPAC Traditional name: (1S,5R)-3-(2,2-diphenylethyl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
• Synonyms: (1S*,5R*)-3-(2,2-diphenylethyl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.12544765
• LogD (pH = 7.4): 1.1886507
• Log P: 4.072311
• Molar Refractivity: 112.8373 cm^3
• Polarizability: 44.294933 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.67
• LOG S: -3.98
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7