8-[2-(1H-1,3-benzodiazol-1-yl)acetyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 319547
• Molecular Formular: C24H26N4O2
• Molecular Mass: 402.48884
• Monoisotopic Mass: 402.20557609
• SMILES: n1(cnc2c1cccc2)CC(=O)N1CCC2(CN(C(=O)C2)Cc2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC2(CC1)CN(C(=O)C2)Cc1ccccc1)Cn1cnc2c1cccc2
• InChI: InChI=1S/C24H26N4O2/c29-22-14-24(17-27(22)15-19-6-2-1-3-7-19)10-12-26(13-11-24)23(30)16-28-18-25-20-8-4-5-9-21(20)28/h1-9,18H,10-17H2
• InChIKey: APTLJYRUVREUEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(1H-1,3-benzodiazol-1-yl)acetyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[2-(1,3-benzodiazol-1-yl)acetyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(1H-benzimidazol-1-ylacetyl)-2-benzyl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4906362
• LogD (pH = 7.4): 1.7606071
• Log P: 1.7660207
• Molar Refractivity: 114.7391 cm^3
• Polarizability: 45.458214 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.71
• LOG S: -4.45
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4