(1R,5R)-6-[(4-fluoro-3-methoxyphenyl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

• ChemBase ID: 584187
• Molecular Formular: C17H26FN3O3S
• Molecular Mass: 371.4700432
• Monoisotopic Mass: 371.16789093
• SMILES: S(=O)(=O)(N1C[C@@H]2N(C[C@H](C1)CC2)Cc1cc(c(cc1)F)OC)N(C)C
• Canonical SMILES: COc1cc(ccc1F)CN1C[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C17H26FN3O3S/c1-19(2)25(22,23)21-11-14-4-6-15(12-21)20(10-14)9-13-5-7-16(18)17(8-13)24-3/h5,7-8,14-15H,4,6,9-12H2,1-3H3/t14-,15-/m1/s1
• InChIKey: NJLQLOULRXAVJN-HUUCEWRRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-6-[(4-fluoro-3-methoxyphenyl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• IUPAC Traditional name: (1R,5R)-6-[(4-fluoro-3-methoxyphenyl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• Synonyms: (1R*,5R*)-6-(4-fluoro-3-methoxybenzyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.37717795
• LogD (pH = 7.4): 0.91238505
• Log P: 1.0301099
• Molar Refractivity: 95.5921 cm^3
• Polarizability: 37.87028 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.66
• LOG S: -1.46
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3