2-(6-methoxynaphthalen-2-yl)-4-(3-methoxypyridine-2-carbonyl)morpholine

• ChemBase编号: 730936
• 分子式: C22H22N2O4
• 平均质量: 378.42108
• 单一同位素质量: 378.15795719
• SMILES: C(=O)(c1ncccc1OC)N1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)C(=O)c1ncccc1OC
• InChI: InChI=1S/C22H22N2O4/c1-26-18-8-7-15-12-17(6-5-16(15)13-18)20-14-24(10-11-28-20)22(25)21-19(27-2)4-3-9-23-21/h3-9,12-13,20H,10-11,14H2,1-2H3
• InChIKey: JYPWMIKZGIVPPB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(6-methoxynaphthalen-2-yl)-4-(3-methoxypyridine-2-carbonyl)morpholine
• IUPAC传统名: 2-(6-methoxynaphthalen-2-yl)-4-(3-methoxypyridine-2-carbonyl)morpholine
• 别名: 2-(6-methoxy-2-naphthyl)-4-[(3-methoxypyridin-2-yl)carbonyl]morpholine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.6792734
• LogD (pH = 7.4): 2.6792898
• Log P: 2.67929
• 摩尔折射率: 105.1348 cm^3
• 极化性: 41.722885 Å^3
• 极化表面积: 60.89 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.92
• LOG S: -4.45
• 极化表面积: 60.89 Å^2
• 可自由旋转的化学键: 4