(1R,5S,8S)-8-methoxy-N-(2-phenylphenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide

• ChemBase ID: 386199
• Molecular Formular: C21H24N2O2
• Molecular Mass: 336.42746
• Monoisotopic Mass: 336.18377802
• SMILES: N1(C(=O)Nc2c(c3ccccc3)cccc2)C[C@@H]2[C@@H]([C@H](C1)CC2)OC
• Canonical SMILES: CO[C@@H]1[C@H]2CC[C@@H]1CN(C2)C(=O)Nc1ccccc1c1ccccc1
• InChI: InChI=1S/C21H24N2O2/c1-25-20-16-11-12-17(20)14-23(13-16)21(24)22-19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-10,16-17,20H,11-14H2,1H3,(H,22,24)/t16-,17+,20+
• InChIKey: TXWBYLDKCOZHRX-YRWFTTLQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5S,8S)-8-methoxy-N-(2-phenylphenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
• IUPAC Traditional name: (1R,5S,8S)-8-methoxy-N-(2-phenylphenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
• Synonyms: (8-syn)-N-biphenyl-2-yl-8-methoxy-3-azabicyclo[3.2.1]octane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.780004
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4280953
• LogD (pH = 7.4): 3.4280937
• Log P: 3.4280953
• Molar Refractivity: 100.0334 cm^3
• Polarizability: 39.443657 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.27
• LOG S: -4.45
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3