8-(6-methylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 770563
• Molecular Formular: C22H28N4O
• Molecular Mass: 364.48392
• Monoisotopic Mass: 364.22631154
• SMILES: N1(C(=O)CC2(C1)CCN(c1cc(ncn1)C)CC2)CCCc1ccccc1
• Canonical SMILES: O=C1CC2(CN1CCCc1ccccc1)CCN(CC2)c1ncnc(c1)C
• InChI: InChI=1S/C22H28N4O/c1-18-14-20(24-17-23-18)25-12-9-22(10-13-25)15-21(27)26(16-22)11-5-8-19-6-3-2-4-7-19/h2-4,6-7,14,17H,5,8-13,15-16H2,1H3
• InChIKey: GBTKNWIAWKKLOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-methylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(6-methylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(6-methyl-4-pyrimidinyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 3.04
• LOG S: -4.45
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0

JChem

• Molar Refractivity: 108.5856 cm^3
• Polarizability: 41.040615 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1992006
• LogD (pH = 7.4): 2.76564
• Log P: 2.7812846