N-[2-(morpholin-4-yl)ethyl]-2-({3,4,8,8-tetramethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide

• ChemBase编号: 213732
• 分子式: C24H32N2O6
• 平均质量: 444.52068
• 单一同位素质量: 444.22603675
• SMILES: c12c(oc(=O)c(c1C)C)c1c(cc2OCC(=O)NCCN2CCOCC2)OC(CC1)(C)C
• Canonical SMILES: O=C(COc1cc2OC(C)(C)CCc2c2c1c(C)c(c(=O)o2)C)NCCN1CCOCC1
• InChI: InChI=1S/C24H32N2O6/c1-15-16(2)23(28)31-22-17-5-6-24(3,4)32-18(17)13-19(21(15)22)30-14-20(27)25-7-8-26-9-11-29-12-10-26/h13H,5-12,14H2,1-4H3,(H,25,27)
• InChIKey: HCERAELVUYOBJP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(morpholin-4-yl)ethyl]-2-({3,4,8,8-tetramethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide
• IUPAC传统名: N-[2-(morpholin-4-yl)ethyl]-2-({3,4,8,8-tetramethyl-2-oxo-9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide

登记号

• PubChem SID: 164269642
• PubChem CID: 4868839

理论计算性质

• Acid pKa: 14.840959
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 1.3633718
• LogD (pH = 7.4): 2.0194116
• Log P: 2.0394318
• 摩尔折射率: 119.9788 cm^3
• 极化性: 46.601128 Å^3
• 极化表面积: 86.33 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds