7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 704890
• Molecular Formular: C20H28F2N2O
• Molecular Mass: 350.4459264
• Monoisotopic Mass: 350.21696997
• SMILES: C12(C(=O)N(Cc3c(c(F)ccc3)F)CCC2)CN(CC1)CCC(C)C
• Canonical SMILES: CC(CCN1CCC2(C1)CCCN(C2=O)Cc1cccc(c1F)F)C
• InChI: InChI=1S/C20H28F2N2O/c1-15(2)7-11-23-12-9-20(14-23)8-4-10-24(19(20)25)13-16-5-3-6-17(21)18(16)22/h3,5-6,15H,4,7-14H2,1-2H3
• InChIKey: VRGNYSDDIRYLJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2,3-difluorobenzyl)-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.27313015
• LogD (pH = 7.4): 0.7609184
• Log P: 3.7628736
• Molar Refractivity: 96.0686 cm^3
• Polarizability: 36.70927 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.04
• LOG S: -3.53
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4