6-ethyl-3-[(2-methoxyphenyl)methyl]-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase编号: 205335
• 分子式: C22H23NO4
• 平均质量: 365.42232
• 单一同位素质量: 365.16270822
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)Cc1c(OC)cccc1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccccc1OC
• InChI: InChI=1S/C22H23NO4/c1-4-15-10-20(24)27-22-14(2)21-17(9-18(15)22)12-23(13-26-21)11-16-7-5-6-8-19(16)25-3/h5-10H,4,11-13H2,1-3H3
• InChIKey: XQPLTWHGJOZJJA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-ethyl-3-[(2-methoxyphenyl)methyl]-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC传统名: 6-ethyl-3-[(2-methoxyphenyl)methyl]-10-methyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

登记号

• PubChem SID: 164261245
• PubChem CID: 1772743

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.2905526
• LogD (pH = 7.4): 4.32933
• Log P: 4.329848
• 摩尔折射率: 104.395 cm^3
• 极化性: 40.247456 Å^3
• 极化表面积: 48.0 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