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

• ChemBase ID: 625817
• Molecular Formular: C21H24F2N2O2
• Molecular Mass: 374.4242664
• Monoisotopic Mass: 374.18058446
• SMILES: c1(C(=O)N2CC3(CN(Cc4cc(c(cc4)F)F)CCC3)CC2)c(occ1)C
• Canonical SMILES: Fc1ccc(cc1F)CN1CCCC2(C1)CCN(C2)C(=O)c1ccoc1C
• InChI: InChI=1S/C21H24F2N2O2/c1-15-17(5-10-27-15)20(26)25-9-7-21(14-25)6-2-8-24(13-21)12-16-3-4-18(22)19(23)11-16/h3-5,10-11H,2,6-9,12-14H2,1H3
• InChIKey: VOQGXUCNXBMLFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 2.7972245
• Log P: 3.1687043
• Molar Refractivity: 100.4199 cm^3
• Polarizability: 37.40272 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.147781

供应商提供(Chembridge)

• Log P: 3.42
• LOG S: -4.29
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 0