7-[(4-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 543283
• Molecular Formular: C23H27FN2O
• Molecular Mass: 366.4716832
• Monoisotopic Mass: 366.21074171
• SMILES: C12(C(=O)N(Cc3ccc(F)cc3)CCC2)CN(Cc2c(C)cccc2)CC1
• Canonical SMILES: Fc1ccc(cc1)CN1CCCC2(C1=O)CCN(C2)Cc1ccccc1C
• InChI: InChI=1S/C23H27FN2O/c1-18-5-2-3-6-20(18)16-25-14-12-23(17-25)11-4-13-26(22(23)27)15-19-7-9-21(24)10-8-19/h2-3,5-10H,4,11-17H2,1H3
• InChIKey: QBGOBGVAAQQAKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(4-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(4-fluorobenzyl)-2-(2-methylbenzyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.78377885
• LogD (pH = 7.4): 1.6623033
• Log P: 4.247148
• Molar Refractivity: 107.0838 cm^3
• Polarizability: 41.024548 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.18
• LOG S: -3.89
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4