2-(6-methoxynaphthalen-2-yl)-4-[(4-methoxypyridin-2-yl)methyl]morpholine

• ChemBase编号: 508206
• 分子式: C22H24N2O3
• 平均质量: 364.43756
• 单一同位素质量: 364.17869264
• SMILES: N1(CC(c2cc3c(cc(cc3)OC)cc2)OCC1)Cc1nccc(c1)OC
• Canonical SMILES: COc1ccnc(c1)CN1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C22H24N2O3/c1-25-20-6-5-16-11-18(4-3-17(16)12-20)22-15-24(9-10-27-22)14-19-13-21(26-2)7-8-23-19/h3-8,11-13,22H,9-10,14-15H2,1-2H3
• InChIKey: LEUGYTNVVIJHIV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(6-methoxynaphthalen-2-yl)-4-[(4-methoxypyridin-2-yl)methyl]morpholine
• IUPAC传统名: 2-(6-methoxynaphthalen-2-yl)-4-[(4-methoxypyridin-2-yl)methyl]morpholine
• 别名: 2-(6-methoxy-2-naphthyl)-4-[(4-methoxypyridin-2-yl)methyl]morpholine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.417258
• LogD (pH = 7.4): 3.0017025
• Log P: 3.018316
• 摩尔折射率: 104.6555 cm^3
• 极化性: 42.272236 Å^3
• 极化表面积: 43.82 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.1
• LOG S: -3.5
• 极化表面积: 43.82 Å^2
• 可自由旋转的化学键: 5