7-[(3,4-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 835959
• Molecular Formular: C21H26F2N2O
• Molecular Mass: 360.4407464
• Monoisotopic Mass: 360.2013199
• SMILES: N1(CC2(CN(Cc3cc(c(cc3)F)F)CCC2)CC1)Cc1oc(cc1)C
• Canonical SMILES: Cc1ccc(o1)CN1CCC2(C1)CCCN(C2)Cc1ccc(c(c1)F)F
• InChI: InChI=1S/C21H26F2N2O/c1-16-3-5-18(26-16)13-25-10-8-21(15-25)7-2-9-24(14-21)12-17-4-6-19(22)20(23)11-17/h3-6,11H,2,7-10,12-15H2,1H3
• InChIKey: WRFPAEYCRBRDLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3,4-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(3,4-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(3,4-difluorobenzyl)-2-[(5-methyl-2-furyl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.51342094
• LogD (pH = 7.4): 1.8594052
• Log P: 3.7321098
• Molar Refractivity: 99.9683 cm^3
• Polarizability: 37.873245 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.7
• LOG S: -3.07
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 4