11-methoxy-N,4,6-trimethyl-5,7-dioxo-13,15-dioxa-4,6-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),11,16-triene-8-carboxamide

• ChemBase编号: 207786
• 分子式: C18H21N3O6
• 平均质量: 375.37584
• 单一同位素质量: 375.14303541
• SMILES: C12(C(=O)N(C(=O)N(C1Cc1c(C2)c(c2c(c1)OCO2)OC)C)C)C(=O)NC
• Canonical SMILES: CNC(=O)C12Cc3c(CC1N(C)C(=O)N(C2=O)C)cc1c(c3OC)OCO1
• InChI: InChI=1S/C18H21N3O6/c1-19-15(22)18-7-10-9(5-11-14(13(10)25-4)27-8-26-11)6-12(18)20(2)17(24)21(3)16(18)23/h5,12H,6-8H2,1-4H3,(H,19,22)
• InChIKey: FRMXGMRPOFLXDY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 11-methoxy-N,4,6-trimethyl-5,7-dioxo-13,15-dioxa-4,6-diazatetracyclo[8.7.0.0^3,^8.0^1^2,^1^6]heptadeca-1(10),11,16-triene-8-carboxamide
• IUPAC传统名: 11-methoxy-N,4,6-trimethyl-5,7-dioxo-13,15-dioxa-4,6-diazatetracyclo[8.7.0.0^3,^8.0^1^2,^1^6]heptadeca-1(10),11,16-triene-8-carboxamide

登记号

• PubChem SID: 164263696
• PubChem CID: 3725938

理论计算性质

• Acid pKa: 14.874688
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 0.08516145
• LogD (pH = 7.4): 0.08516143
• Log P: 0.08516145
• 摩尔折射率: 92.9564 cm^3
• 极化性: 36.043755 Å^3
• 极化表面积: 97.41 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds