7-{imidazo[1,2-b]pyridazine-3-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase编号: 673064
• 分子式: C15H17N5O3
• 平均质量: 315.32718
• 单一同位素质量: 315.13313943
• SMILES: c1(n2c(nc1)cccn2)C(=O)N1CC2(OC(=O)N(C2)C)CCC1
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)C(=O)c1cnc2n1nccc2
• InChI: InChI=1S/C15H17N5O3/c1-18-9-15(23-14(18)22)5-3-7-19(10-15)13(21)11-8-16-12-4-2-6-17-20(11)12/h2,4,6,8H,3,5,7,9-10H2,1H3
• InChIKey: URBRHIQRLGAZQE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-{imidazo[1,2-b]pyridazine-3-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC传统名: 7-{imidazo[1,2-b]pyridazine-3-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• 别名: 7-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.04646165
• LogD (pH = 7.4): -0.04639636
• Log P: -0.046395525
• 摩尔折射率: 91.5686 cm^3
• 极化性: 30.517464 Å^3
• 极化表面积: 80.04 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: -0.7
• LOG S: -2.21
• 极化表面积: 80.04 Å^2
• 可自由旋转的化学键: 1