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

• ChemBase ID: 859744
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: c1(nnc(o1)CN1CCC2(NC(=O)C(C2)c2ccccc2)CC1)C1CC1
• Canonical SMILES: O=C1NC2(CC1c1ccccc1)CCN(CC2)Cc1nnc(o1)C1CC1
• InChI: InChI=1S/C20H24N4O2/c25-18-16(14-4-2-1-3-5-14)12-20(21-18)8-10-24(11-9-20)13-17-22-23-19(26-17)15-6-7-15/h1-5,15-16H,6-13H2,(H,21,25)
• InChIKey: SYJPXAKYSAGASL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.538406
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.556985
• LogD (pH = 7.4): 0.6389651
• Log P: 0.72969604
• Molar Refractivity: 98.9732 cm^3
• Polarizability: 37.60381 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.49
• LOG S: -2.19
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 4