7-[(3,4-difluorophenyl)methyl]-2-[(2E)-2-methylbut-2-en-1-yl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 355622
• Molecular Formular: C20H28F2N2
• Molecular Mass: 334.4465264
• Monoisotopic Mass: 334.22205535
• SMILES: N1(CC2(CN(Cc3cc(c(cc3)F)F)CCC2)CC1)C/C(=C/C)/C
• Canonical SMILES: C/C=C(/CN1CCC2(C1)CCCN(C2)Cc1ccc(c(c1)F)F)\C
• InChI: InChI=1S/C20H28F2N2/c1-3-16(2)12-24-10-8-20(15-24)7-4-9-23(14-20)13-17-5-6-18(21)19(22)11-17/h3,5-6,11H,4,7-10,12-15H2,1-2H3/b16-3+
• InChIKey: OSNZBCCOSPZFQE-HQYXKAPLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3,4-difluorophenyl)methyl]-2-[(2E)-2-methylbut-2-en-1-yl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(3,4-difluorophenyl)methyl]-2-[(2E)-2-methylbut-2-en-1-yl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(3,4-difluorobenzyl)-2-[(2E)-2-methyl-2-buten-1-yl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.29018724
• LogD (pH = 7.4): 1.7099235
• Log P: 4.109075
• Molar Refractivity: 96.9333 cm^3
• Polarizability: 36.75715 Å^3
• Polar Surface Area: 6.48 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: 4.96
• LOG S: -3.06
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4