2-(3-methoxypropyl)-8-(pyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 571909
• Molecular Formular: C17H26N4O2
• Molecular Mass: 318.41394
• Monoisotopic Mass: 318.20557609
• SMILES: N1(C(=O)CCC2(C1)CN(c1nccnc1)CCC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CCCN(C2)c2cnccn2)CCC1=O
• InChI: InChI=1S/C17H26N4O2/c1-23-11-3-10-21-14-17(6-4-16(21)22)5-2-9-20(13-17)15-12-18-7-8-19-15/h7-8,12H,2-6,9-11,13-14H2,1H3
• InChIKey: KECHYJGGWGOLAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-8-(pyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(3-methoxypropyl)-8-(pyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(3-methoxypropyl)-8-(2-pyrazinyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.29372498
• LogD (pH = 7.4): 0.29383597
• Log P: 0.2938374
• Molar Refractivity: 89.4033 cm^3
• Polarizability: 34.072903 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.87
• LOG S: -2.27
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5