N-(1,1-dioxo-1λ6-thiolan-3-yl)-N-methyl-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase编号: 219085
• 分子式: C22H25NO6S
• 平均质量: 431.502
• 单一同位素质量: 431.14025853
• SMILES: c1(c(c2c3oc(c(c3c(cc2oc1=O)C)C)C)C)CC(=O)N(C1CS(=O)(=O)CC1)C
• Canonical SMILES: CN(C1CCS(=O)(=O)C1)C(=O)Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C
• InChI: InChI=1S/C22H25NO6S/c1-11-8-17-20(21-19(11)12(2)14(4)28-21)13(3)16(22(25)29-17)9-18(24)23(5)15-6-7-30(26,27)10-15/h8,15H,6-7,9-10H2,1-5H3
• InChIKey: WDQMALAQNAYLIS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-methyl-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC传统名: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-methyl-2-{2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

登记号

• PubChem SID: 164274995
• PubChem CID: 16409003

理论计算性质

• Acid pKa: 14.62655
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.4086521
• LogD (pH = 7.4): 1.4086522
• Log P: 1.4086522
• 摩尔折射率: 112.6939 cm^3
• 极化性: 44.77927 Å^3
• 极化表面积: 93.89 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