N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-{4,8,8-trimethyl-2-oxo-2H,6H,7H,8H-pyrano[3,2-g]chromen-3-yl}acetamide

• ChemBase编号: 214395
• 分子式: C26H36N2O4
• 平均质量: 440.57504
• 单一同位素质量: 440.26750764
• SMILES: c1(c(c2c(oc1=O)cc1OC(CCc1c2)(C)C)C)CC(=O)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)OC(CC1)(C)C)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C26H36N2O4/c1-15-18-10-16-8-9-26(6,7)32-20(16)12-21(18)31-23(30)19(15)11-22(29)27-17-13-24(2,3)28-25(4,5)14-17/h10,12,17,28H,8-9,11,13-14H2,1-7H3,(H,27,29)
• InChIKey: INWAXTLBSHQBRD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-{4,8,8-trimethyl-2-oxo-2H,6H,7H,8H-pyrano[3,2-g]chromen-3-yl}acetamide
• IUPAC传统名: N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-{4,8,8-trimethyl-2-oxo-6H,7H-pyrano[3,2-g]chromen-3-yl}acetamide

登记号

• PubChem SID: 164270305
• PubChem CID: 4869944

理论计算性质

• Acid pKa: 14.749851
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.15095186
• LogD (pH = 7.4): 0.28546232
• Log P: 3.0813642
• 摩尔折射率: 124.8742 cm^3
• 极化性: 48.878872 Å^3
• 极化表面积: 76.66 Å^2
• 可自由旋转的化学键: 3
• 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