ethyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate

• ChemBase编号: 191453
• 分子式: C25H20N2O8
• 平均质量: 476.4349
• 单一同位素质量: 476.12196561
• SMILES: C12(c3c(OC(=C1C(=O)OCC)N)c1c(oc3=O)cccc1)C(=O)N(c1c2cccc1)CC(=O)OC
• Canonical SMILES: CCOC(=O)C1=C(N)Oc2c(C31c1ccccc1N(C3=O)CC(=O)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C25H20N2O8/c1-3-33-22(29)19-21(26)35-20-13-8-4-7-11-16(13)34-23(30)18(20)25(19)14-9-5-6-10-15(14)27(24(25)31)12-17(28)32-2/h4-11H,3,12,26H2,1-2H3
• InChIKey: IDHMEXJBQWNEMP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate
• IUPAC传统名: ethyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate

登记号

• PubChem SID: 164247363
• PubChem CID: 3399452

理论计算性质

• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 1.1942201
• LogD (pH = 7.4): 1.1947508
• Log P: 1.1947576
• 摩尔折射率: 130.9894 cm^3
• 极化性: 46.65607 Å^3
• 极化表面积: 134.46 Å^2
• 可自由旋转的化学键: 6
• 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