N-[4-(benzyloxy)phenyl]-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide

• ChemBase编号: 195461
• 分子式: C30H23NO5
• 平均质量: 477.50732
• 单一同位素质量: 477.15762284
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Nc1ccc(OCc3ccccc3)cc1)cc2)c1ccccc1
• Canonical SMILES: O=C(Nc1ccc(cc1)OCc1ccccc1)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C30H23NO5/c32-29(31-23-11-13-24(14-12-23)34-19-21-7-3-1-4-8-21)20-35-25-15-16-26-27(22-9-5-2-6-10-22)18-30(33)36-28(26)17-25/h1-18H,19-20H2,(H,31,32)
• InChIKey: LQUUKERFNNMRKA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[4-(benzyloxy)phenyl]-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
• IUPAC传统名: N-[4-(benzyloxy)phenyl]-2-[(2-oxo-4-phenylchromen-7-yl)oxy]acetamide

登记号

• PubChem SID: 164251371
• PubChem CID: 1749021

理论计算性质

• Acid pKa: 12.705166
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 5.537974
• LogD (pH = 7.4): 5.537972
• Log P: 5.537974
• 摩尔折射率: 147.0022 cm^3
• 极化性: 52.541527 Å^3
• 极化表面积: 73.86 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds