8-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decane

• ChemBase编号: 610204
• 分子式: C17H24N4O3
• 平均质量: 332.39746
• 单一同位素质量: 332.18484065
• SMILES: c1(nc(N2CCC3(OCCC3)CC2)cnc1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1cncc(n1)N1CCC2(CC1)CCCO2)N1CCOCC1
• InChI: InChI=1S/C17H24N4O3/c22-16(21-7-10-23-11-8-21)14-12-18-13-15(19-14)20-5-3-17(4-6-20)2-1-9-24-17/h12-13H,1-11H2
• InChIKey: VOXQRGWGXKNISA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decane
• IUPAC传统名: 8-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decane
• 别名: 8-[6-(4-morpholinylcarbonyl)-2-pyrazinyl]-1-oxa-8-azaspiro[4.5]decane

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -0.0035038658
• LogD (pH = 7.4): -0.003503083
• Log P: -0.003503073
• 摩尔折射率: 89.9667 cm^3
• 极化性: 33.871754 Å^3
• 极化表面积: 67.79 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: -0.41
• LOG S: -2.58
• 极化表面积: 67.79 Å^2
• 可自由旋转的化学键: 2