N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-2,2-diphenyl-N-(pyridin-2-ylmethyl)acetamide

• ChemBase编号: 458137
• 分子式: C33H35N3O3
• 平均质量: 521.6493
• 单一同位素质量: 521.267842
• SMILES: C(=O)(N(Cc1cc(OCCN2CCOCC2)ccc1)Cc1ncccc1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccccn1)Cc1cccc(c1)OCCN1CCOCC1
• InChI: InChI=1S/C33H35N3O3/c37-33(32(28-11-3-1-4-12-28)29-13-5-2-6-14-29)36(26-30-15-7-8-17-34-30)25-27-10-9-16-31(24-27)39-23-20-35-18-21-38-22-19-35/h1-17,24,32H,18-23,25-26H2
• InChIKey: YSARPVWPNQDFHN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-2,2-diphenyl-N-(pyridin-2-ylmethyl)acetamide
• IUPAC传统名: N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-2,2-diphenyl-N-(pyridin-2-ylmethyl)acetamide
• 别名: N-{3-[2-(4-morpholinyl)ethoxy]benzyl}-2,2-diphenyl-N-(2-pyridinylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.6814284
• LogD (pH = 7.4): 4.8110595
• Log P: 4.8834124
• 摩尔折射率: 153.7536 cm^3
• 极化性: 60.019745 Å^3
• 极化表面积: 54.9 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 4.0
• LOG S: -4.65
• 极化表面积: 54.9 Å^2
• 可自由旋转的化学键: 11