2-(3-methoxypropyl)-8-(3-methoxypyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 601839
• Molecular Formular: C17H26N4O3
• Molecular Mass: 334.41334
• Monoisotopic Mass: 334.20049071
• SMILES: N1(C(=O)CC2(C1)CCN(c1c(nccn1)OC)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)c1nccnc1OC
• InChI: InChI=1S/C17H26N4O3/c1-23-11-3-8-21-13-17(12-14(21)22)4-9-20(10-5-17)15-16(24-2)19-7-6-18-15/h6-7H,3-5,8-13H2,1-2H3
• InChIKey: HMFBOEFBQOOHEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-8-(3-methoxypyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-methoxypropyl)-8-(3-methoxypyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-methoxypropyl)-8-(3-methoxy-2-pyrazinyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.13009363
• LogD (pH = 7.4): 0.13014685
• Log P: 0.13014752
• Molar Refractivity: 91.733 cm^3
• Polarizability: 34.781273 Å^3
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.57
• LOG S: -2.98
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 6