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

• ChemBase ID: 688493
• Molecular Formular: C25H28N4O3
• Molecular Mass: 432.51482
• Monoisotopic Mass: 432.21614078
• SMILES: N1(C2(CCN(C(=O)CCn3cnc4c3cccc4)CC2)CCC1=O)OCc1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N2OCc1ccccc1)CCn1cnc2c1cccc2
• InChI: InChI=1S/C25H28N4O3/c30-23(11-15-28-19-26-21-8-4-5-9-22(21)28)27-16-13-25(14-17-27)12-10-24(31)29(25)32-18-20-6-2-1-3-7-20/h1-9,19H,10-18H2
• InChIKey: UVQFEABAOSQDJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8145033
• LogD (pH = 7.4): 2.1123226
• Log P: 2.1186337
• Molar Refractivity: 120.7348 cm^3
• Polarizability: 47.98328 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.52
• LOG S: -4.5
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 6