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

• ChemBase编号: 214202
• 分子式: C24H21NO4
• 平均质量: 387.42784
• 单一同位素质量: 387.14705816
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)c1ccccc1)c2)C)CC(=O)NC1CC1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1c1ccccc1)C)NC1CC1
• InChI: InChI=1S/C24H21NO4/c1-13-17-10-19-21(28-14(2)23(19)15-6-4-3-5-7-15)12-20(17)29-24(27)18(13)11-22(26)25-16-8-9-16/h3-7,10,12,16H,8-9,11H2,1-2H3,(H,25,26)
• InChIKey: OBMJNNRMJLRBTI-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164270112
• PubChem CID: 4869641

理论计算性质

• Acid pKa: 14.632933
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.4908397
• LogD (pH = 7.4): 3.4908397
• Log P: 3.4908397
• 摩尔折射率: 109.5112 cm^3
• 极化性: 44.339226 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