4-{6-[2-(benzyloxy)phenyl]pyridine-3-carbonyl}morpholine

• ChemBase编号: 382652
• 分子式: C23H22N2O3
• 平均质量: 374.43238
• 单一同位素质量: 374.16304257
• SMILES: C(=O)(c1cnc(c2c(OCc3ccccc3)cccc2)cc1)N1CCOCC1
• Canonical SMILES: O=C(c1ccc(nc1)c1ccccc1OCc1ccccc1)N1CCOCC1
• InChI: InChI=1S/C23H22N2O3/c26-23(25-12-14-27-15-13-25)19-10-11-21(24-16-19)20-8-4-5-9-22(20)28-17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2
• InChIKey: GRNZUPNCRAMKLZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{6-[2-(benzyloxy)phenyl]pyridine-3-carbonyl}morpholine
• IUPAC传统名: 4-{6-[2-(benzyloxy)phenyl]pyridine-3-carbonyl}morpholine
• 别名: 4-({6-[2-(benzyloxy)phenyl]pyridin-3-yl}carbonyl)morpholine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.4347014
• LogD (pH = 7.4): 3.4349399
• Log P: 3.434943
• 摩尔折射率: 107.6874 cm^3
• 极化性: 42.668804 Å^3
• 极化表面积: 51.66 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: 4
• 质子供体: 0
• Log P: 1.84
• LOG S: -3.5
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 5