7-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 587956
• Molecular Formular: C20H23F2N3O2
• Molecular Mass: 375.4123264
• Monoisotopic Mass: 375.17583343
• SMILES: c1(C(=O)N2CC3(CN(Cc4cc(c(cc4)F)F)CCC3)CC2)c(nco1)C
• Canonical SMILES: Fc1ccc(cc1F)CN1CCCC2(C1)CCN(C2)C(=O)c1ocnc1C
• InChI: InChI=1S/C20H23F2N3O2/c1-14-18(27-13-23-14)19(26)25-8-6-20(12-25)5-2-7-24(11-20)10-15-3-4-16(21)17(22)9-15/h3-4,9,13H,2,5-8,10-12H2,1H3
• InChIKey: FJIRUVIZEKLBGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(3,4-difluorobenzyl)-2-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.14414302
• LogD (pH = 7.4): 1.4824796
• Log P: 1.8221602
• Molar Refractivity: 97.9352 cm^3
• Polarizability: 36.56499 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.09
• LOG S: -3.94
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3