(1R,5R)-6-(1-benzofuran-2-ylmethyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

• ChemBase ID: 533248
• Molecular Formular: C18H25N3O3S
• Molecular Mass: 363.4744
• Monoisotopic Mass: 363.16166268
• SMILES: S(=O)(=O)(N1C[C@@H]2N(Cc3oc4c(c3)cccc4)C[C@H](C1)CC2)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)Cc1cc2c(o1)cccc2)C
• InChI: InChI=1S/C18H25N3O3S/c1-19(2)25(22,23)21-11-14-7-8-16(12-21)20(10-14)13-17-9-15-5-3-4-6-18(15)24-17/h3-6,9,14,16H,7-8,10-13H2,1-2H3/t14-,16-/m1/s1
• InChIKey: LASYPAUXUJOLLR-GDBMZVCRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-6-(1-benzofuran-2-ylmethyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• IUPAC Traditional name: (1R,5R)-6-(1-benzofuran-2-ylmethyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• Synonyms: (1R*,5R*)-6-(1-benzofuran-2-ylmethyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0965409
• LogD (pH = 7.4): 0.6199885
• Log P: 1.1242037
• Molar Refractivity: 97.6311 cm^3
• Polarizability: 40.020103 Å^3
• Polar Surface Area: 57.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.19
• LOG S: -1.86
• Polar Surface Area: 57.0 Å^2
• Rotatable Bonds: 2