ethyl 2-[4-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)morpholin-3-yl]acetate

• ChemBase编号: 670676
• 分子式: C18H23N3O4
• 平均质量: 345.39292
• 单一同位素质量: 345.16885623
• SMILES: c12n(c(CC(=O)N3C(CC(=O)OCC)COCC3)cn1)cccc2C
• Canonical SMILES: CCOC(=O)CC1COCCN1C(=O)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C18H23N3O4/c1-3-25-17(23)10-15-12-24-8-7-20(15)16(22)9-14-11-19-18-13(2)5-4-6-21(14)18/h4-6,11,15H,3,7-10,12H2,1-2H3
• InChIKey: JGLMRSWRTYHYDY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-[4-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)morpholin-3-yl]acetate
• IUPAC传统名: ethyl 2-[4-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)morpholin-3-yl]acetate
• 别名: ethyl {4-[(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]morpholin-3-yl}acetate

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.26417795
• LogD (pH = 7.4): 0.47879818
• Log P: 0.53009444
• 摩尔折射率: 92.8247 cm^3
• 极化性: 35.443783 Å^3
• 极化表面积: 73.14 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.51
• LOG S: -3.86
• 极化表面积: 73.14 Å^2
• 可自由旋转的化学键: 6