methyl 2'-amino-2,5'-dioxo-1-(prop-2-en-1-yl)-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate

• ChemBase编号: 191565
• 分子式: C24H18N2O6
• 平均质量: 430.40952
• 单一同位素质量: 430.11648631
• SMILES: C12(c3c(OC(=C1C(=O)OC)N)c1c(oc3=O)cccc1)C(=O)N(c1c2cccc1)CC=C
• Canonical SMILES: C=CCN1c2ccccc2C2(C1=O)C(=C(N)Oc1c2c(=O)oc2c1cccc2)C(=O)OC
• InChI: InChI=1S/C24H18N2O6/c1-3-12-26-15-10-6-5-9-14(15)24(23(26)29)17-19(32-20(25)18(24)21(27)30-2)13-8-4-7-11-16(13)31-22(17)28/h3-11H,1,12,25H2,2H3
• InChIKey: VYRDCPWUEHZBAN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2'-amino-2,5'-dioxo-1-(prop-2-en-1-yl)-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate
• IUPAC传统名: methyl 2'-amino-2,5'-dioxo-1-(prop-2-en-1-yl)spiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate

登记号

• PubChem SID: 164247475
• PubChem CID: 4585029

理论计算性质

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.9447833
• LogD (pH = 7.4): 1.9453154
• Log P: 1.9453222
• 摩尔折射率: 124.5498 cm^3
• 极化性: 43.736355 Å^3
• 极化表面积: 108.16 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