7-[(2-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 500538
• Molecular Formular: C20H21FN2O3
• Molecular Mass: 356.3907432
• Monoisotopic Mass: 356.15362076
• SMILES: C12(C(=O)N(Cc3c(F)cccc3)CCC2)CN(C(=O)c2cocc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)Cc1ccccc1F)c1ccoc1
• InChI: InChI=1S/C20H21FN2O3/c21-17-5-2-1-4-15(17)12-22-9-3-7-20(19(22)25)8-10-23(14-20)18(24)16-6-11-26-13-16/h1-2,4-6,11,13H,3,7-10,12,14H2
• InChIKey: LUAUZAXHOYPPMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(2-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-fluorobenzyl)-2-(3-furoyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2305677
• LogD (pH = 7.4): 2.230568
• Log P: 2.230568
• Molar Refractivity: 94.8851 cm^3
• Polarizability: 35.661 Å^3
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.67
• LOG S: -3.15
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 3