9-(2-methoxyethyl)-3-(3-methoxyphenoxy)-2-methyl-4H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-4-one

• ChemBase编号: 223244
• 分子式: C22H23NO6
• 平均质量: 397.42112
• 单一同位素质量: 397.15253746
• SMILES: c12c3c(OCN(C3)CCOC)ccc1c(=O)c(c(o2)C)Oc1cc(OC)ccc1
• Canonical SMILES: COCCN1COc2c(C1)c1oc(C)c(c(=O)c1cc2)Oc1cccc(c1)OC
• InChI: InChI=1S/C22H23NO6/c1-14-21(29-16-6-4-5-15(11-16)26-3)20(24)17-7-8-19-18(22(17)28-14)12-23(13-27-19)9-10-25-2/h4-8,11H,9-10,12-13H2,1-3H3
• InChIKey: XHYVCQYUDXHPKK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-(2-methoxyethyl)-3-(3-methoxyphenoxy)-2-methyl-4H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-4-one
• IUPAC传统名: 9-(2-methoxyethyl)-3-(3-methoxyphenoxy)-2-methyl-8H,10H-chromeno[8,7-e][1,3]oxazin-4-one

登记号

• PubChem SID: 164279154
• PubChem CID: 25282460

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 2.942656
• LogD (pH = 7.4): 2.9461908
• Log P: 2.9462361
• 摩尔折射率: 108.6876 cm^3
• 极化性: 41.618996 Å^3
• 极化表面积: 66.46 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