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

• ChemBase ID: 528885
• Molecular Formular: C21H25F2N3O2
• Molecular Mass: 389.4389064
• Monoisotopic Mass: 389.1914835
• SMILES: c1(C(=O)N2CC3(CN(Cc4c(c(F)ccc4)F)CCC3)CC2)ncoc1CC
• Canonical SMILES: CCc1ocnc1C(=O)N1CCC2(C1)CCCN(C2)Cc1cccc(c1F)F
• InChI: InChI=1S/C21H25F2N3O2/c1-2-17-19(24-14-28-17)20(27)26-10-8-21(13-26)7-4-9-25(12-21)11-15-5-3-6-16(22)18(15)23/h3,5-6,14H,2,4,7-13H2,1H3
• InChIKey: MHHAILAVJGAYMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0771328
• LogD (pH = 7.4): 2.623407
• Log P: 2.878723
• Molar Refractivity: 102.7679 cm^3
• Polarizability: 38.392185 Å^3
• Polar Surface Area: 49.58 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 0
• Log P: 2.62
• LOG S: -3.38
• Polar Surface Area: 49.58 Å^2