(1E)-1-{2-[(1E)-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-ylidene]hydrazin-1-ylidene}-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

• ChemBase编号: 189707
• 分子式: C26H34N4O4
• 平均质量: 466.57256
• 单一同位素质量: 466.25800559
• SMILES: C\1(=N/N=C/2\c3c(cc(c(c3)OC)OC)CC(N2)(C)C)/c2c(cc(c(c2)OC)OC)CC(N1)(C)C
• Canonical SMILES: COc1cc2c(cc1OC)CC(N/C/2=N/N=C\1/NC(C)(C)Cc2c1cc(OC)c(c2)OC)(C)C
• InChI: InChI=1S/C26H34N4O4/c1-25(2)13-15-9-19(31-5)21(33-7)11-17(15)23(27-25)29-30-24-18-12-22(34-8)20(32-6)10-16(18)14-26(3,4)28-24/h9-12H,13-14H2,1-8H3,(H,27,29)(H,28,30)
• InChIKey: ZLNIPMHTWFRRRR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1E)-1-{2-[(1E)-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-ylidene]hydrazin-1-ylidene}-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
• IUPAC传统名: (1E)-1-{2-[(1E)-6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]hydrazin-1-ylidene}-6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinoline

登记号

• PubChem SID: 164245617
• PubChem CID: 3729122

理论计算性质

• 质子受体: 8
• 质子供体: 2
• LogD (pH = 5.5): 3.2162066
• LogD (pH = 7.4): 3.229312
• Log P: 3.2294817
• 摩尔折射率: 133.1664 cm^3
• 极化性: 50.49768 Å^3
• 极化表面积: 85.7 Å^2
• 可自由旋转的化学键: 5
• 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