7-[(4-fluorophenyl)methyl]-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 542469
• Molecular Formular: C20H24FN3O2S
• Molecular Mass: 389.4868632
• Monoisotopic Mass: 389.15732624
• SMILES: S(=O)(=O)(N1CC2(CN(Cc3ccc(F)cc3)CCC2)CC1)c1cnccc1
• Canonical SMILES: Fc1ccc(cc1)CN1CCCC2(C1)CCN(C2)S(=O)(=O)c1cccnc1
• InChI: InChI=1S/C20H24FN3O2S/c21-18-6-4-17(5-7-18)14-23-11-2-8-20(15-23)9-12-24(16-20)27(25,26)19-3-1-10-22-13-19/h1,3-7,10,13H,2,8-9,11-12,14-16H2
• InChIKey: CQGCFMHKMMAGLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-fluorophenyl)methyl]-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(4-fluorophenyl)methyl]-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(4-fluorobenzyl)-2-(3-pyridinylsulfonyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.17807224
• LogD (pH = 7.4): 1.8372949
• Log P: 2.2239137
• Molar Refractivity: 103.463 cm^3
• Polarizability: 40.60959 Å^3
• Polar Surface Area: 53.51 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: 2.79
• LOG S: -3.41
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3