N-cyclopropyl-2-{5,9-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase编号: 214657
• 分子式: C24H21NO4
• 平均质量: 387.42784
• 单一同位素质量: 387.14705816
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NC1CC1)C)cc1c(c2C)occ1c1ccccc1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccccc1)NC1CC1
• InChI: InChI=1S/C24H21NO4/c1-13-17-10-19-20(15-6-4-3-5-7-15)12-28-22(19)14(2)23(17)29-24(27)18(13)11-21(26)25-16-8-9-16/h3-7,10,12,16H,8-9,11H2,1-2H3,(H,25,26)
• InChIKey: CWMMQQRNWPRENC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-{5,9-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC传统名: N-cyclopropyl-2-{5,9-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}acetamide

登记号

• PubChem SID: 164270567
• PubChem CID: 4968018

理论计算性质

• Acid pKa: 14.690531
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.8046997
• LogD (pH = 7.4): 3.8046997
• Log P: 3.8046997
• 摩尔折射率: 109.4027 cm^3
• 极化性: 44.341827 Å^3
• 极化表面积: 68.54 Å^2
• 可自由旋转的化学键: 4
• 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