2-(furan-2-yl)-4-[2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-ylidene]-4,5-dihydro-1,3-oxazol-5-one

• ChemBase编号: 209668
• 分子式: C25H19NO7
• 平均质量: 445.42086
• 单一同位素质量: 445.11615195
• SMILES: C\1(=C/2\C=C(Oc3c2cccc3)c2cc(c(c(c2)OC)OC)OC)/N=C(OC1=O)c1occc1
• Canonical SMILES: COc1cc(cc(c1OC)OC)C1=C/C(=C\2/N=C(OC2=O)c2ccco2)/c2c(O1)cccc2
• InChI: InChI=1S/C25H19NO7/c1-28-20-11-14(12-21(29-2)23(20)30-3)19-13-16(15-7-4-5-8-17(15)32-19)22-25(27)33-24(26-22)18-9-6-10-31-18/h4-13H,1-3H3/b22-16-
• InChIKey: GZLJPWOQPQSMJH-JWGURIENSA-N

名称和登记号

名称

• IUPAC标准名: 2-(furan-2-yl)-4-[2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-ylidene]-4,5-dihydro-1,3-oxazol-5-one
• IUPAC传统名: 2-(furan-2-yl)-4-[2-(3,4,5-trimethoxyphenyl)chromen-4-ylidene]-1,3-oxazol-5-one

登记号

• PubChem SID: 164265578
• PubChem CID: 1787244

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.547785
• LogD (pH = 7.4): 3.547785
• Log P: 3.547785
• 摩尔折射率: 120.3989 cm^3
• 极化性: 45.36503 Å^3
• 极化表面积: 88.72 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