2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 323210
• Molecular Formular: C22H22F2N2O2
• Molecular Mass: 384.4190864
• Monoisotopic Mass: 384.16493439
• SMILES: c1(C(=O)N2CCC3(CN(C(=O)C3)Cc3ccccc3)CC2)c(c(F)ccc1)F
• Canonical SMILES: O=C1CC2(CN1Cc1ccccc1)CCN(CC2)C(=O)c1cccc(c1F)F
• InChI: InChI=1S/C22H22F2N2O2/c23-18-8-4-7-17(20(18)24)21(28)25-11-9-22(10-12-25)13-19(27)26(15-22)14-16-5-2-1-3-6-16/h1-8H,9-15H2
• InChIKey: GMKAASVYZYLWTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7210896
• LogD (pH = 7.4): 2.7210898
• Log P: 2.7210898
• Molar Refractivity: 102.5363 cm^3
• Polarizability: 38.441387 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.85
• LOG S: -3.58
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3