8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 361478
• Molecular Formular: C23H30N4O2
• Molecular Mass: 394.5099
• Monoisotopic Mass: 394.23687622
• SMILES: n1c(onc1CN1CCC2(CN(C(=O)C2)CCCc2ccccc2)CC1)C1CC1
• Canonical SMILES: O=C1CC2(CN1CCCc1ccccc1)CCN(CC2)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C23H30N4O2/c28-21-15-23(17-27(21)12-4-7-18-5-2-1-3-6-18)10-13-26(14-11-23)16-20-24-22(29-25-20)19-8-9-19/h1-3,5-6,19H,4,7-17H2
• InChIKey: JFDQIVNMIXWFHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3178706
• LogD (pH = 7.4): 3.061389
• Log P: 3.087315
• Molar Refractivity: 113.0971 cm^3
• Polarizability: 43.123383 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.59
• LOG S: -4.29
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7