2-methyl-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 638684
• Molecular Formular: C23H32N4O
• Molecular Mass: 380.52638
• Monoisotopic Mass: 380.25761166
• SMILES: C1(=O)N(CC2(CC1c1ccccc1)CCN(CC2)CCCn1c(ncc1)C)C
• Canonical SMILES: O=C1N(C)CC2(CC1c1ccccc1)CCN(CC2)CCCn1ccnc1C
• InChI: InChI=1S/C23H32N4O/c1-19-24-11-16-27(19)13-6-12-26-14-9-23(10-15-26)17-21(22(28)25(2)18-23)20-7-4-3-5-8-20/h3-5,7-8,11,16,21H,6,9-10,12-15,17-18H2,1-2H3
• InChIKey: QATTYOLPSJNFRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-methyl-9-[3-(2-methylimidazol-1-yl)propyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-methyl-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.4055035
• LogD (pH = 7.4): -0.3899105
• Log P: 1.8414544
• Molar Refractivity: 113.0663 cm^3
• Polarizability: 43.642197 Å^3
• Polar Surface Area: 41.37 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: 2.32
• LOG S: -3.96
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5