9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 518858
• Molecular Formular: C24H32N4O
• Molecular Mass: 392.53708
• Monoisotopic Mass: 392.25761166
• SMILES: c1(nc(ncc1CC)C)N1CCC2(CN(C(=O)CC2)CCc2ccccc2)CC1
• Canonical SMILES: CCc1cnc(nc1N1CCC2(CC1)CCC(=O)N(C2)CCc1ccccc1)C
• InChI: InChI=1S/C24H32N4O/c1-3-21-17-25-19(2)26-23(21)27-15-12-24(13-16-27)11-9-22(29)28(18-24)14-10-20-7-5-4-6-8-20/h4-8,17H,3,9-16,18H2,1-2H3
• InChIKey: ASUORMPUKXWRJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6066108
• LogD (pH = 7.4): 4.2516074
• Log P: 4.2716627
• Molar Refractivity: 118.2607 cm^3
• Polarizability: 44.650246 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.77
• LOG S: -5.28
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5