8-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 493598
• Molecular Formular: C18H30N4O4
• Molecular Mass: 366.4552
• Monoisotopic Mass: 366.22670546
• SMILES: n1c(onc1COC)CN1CC2(CN(C(=O)CC2)CCCOC)CCC1
• Canonical SMILES: COCCCN1CC2(CCCN(C2)Cc2onc(n2)COC)CCC1=O
• InChI: InChI=1S/C18H30N4O4/c1-24-10-4-9-22-14-18(7-5-17(22)23)6-3-8-21(13-18)11-16-19-15(12-25-2)20-26-16/h3-14H2,1-2H3
• InChIKey: QDXIYYSCAFORIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.1055518
• LogD (pH = 7.4): 0.13881579
• Log P: 0.24233681
• Molar Refractivity: 98.5386 cm^3
• Polarizability: 37.626617 Å^3
• Polar Surface Area: 80.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.41
• LOG S: -2.22
• Polar Surface Area: 80.93 Å^2
• Rotatable Bonds: 8