(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-dimethylcarbamate

• ChemBase编号: 200517
• 分子式: C19H17NO5
• 平均质量: 339.34198
• 单一同位素质量: 339.11067265
• SMILES: C\1(=C\c2ccc(cc2)OC)/C(=O)c2c(O1)cc(OC(=O)N(C)C)cc2
• Canonical SMILES: COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)N(C)C
• InChI: InChI=1S/C19H17NO5/c1-20(2)19(22)24-14-8-9-15-16(11-14)25-17(18(15)21)10-12-4-6-13(23-3)7-5-12/h4-11H,1-3H3/b17-10-
• InChIKey: SBSWUNJAUDECHP-YVLHZVERSA-N

名称和登记号

名称

• IUPAC标准名: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-dimethylcarbamate
• IUPAC传统名: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl N,N-dimethylcarbamate

登记号

• PubChem SID: 164256427
• PubChem CID: 1758083

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.7656705
• LogD (pH = 7.4): 2.7656705
• Log P: 2.7656705
• 摩尔折射率: 93.112 cm^3
• 极化性: 35.204666 Å^3
• 极化表面积: 65.07 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