(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-diphenylcarbamate

• ChemBase编号: 209423
• 分子式: C32H23NO5
• 平均质量: 501.52872
• 单一同位素质量: 501.15762284
• SMILES: C\1(=C\C2=Cc3c(OC2C)cccc3)/C(=O)c2c(O1)cc(OC(=O)N(c1ccccc1)c1ccccc1)cc2
• Canonical SMILES: O=C(N(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1C)/C2=O
• InChI: InChI=1S/C32H23NO5/c1-21-23(18-22-10-8-9-15-28(22)36-21)19-30-31(34)27-17-16-26(20-29(27)38-30)37-32(35)33(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-21H,1H3/b30-19-
• InChIKey: QXYULVYWWWASHY-FSGOGVSDSA-N

名称和登记号

名称

• IUPAC标准名: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-diphenylcarbamate
• IUPAC传统名: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl N,N-diphenylcarbamate

登记号

• PubChem SID: 164265333
• PubChem CID: 16402771

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 6.5065455
• LogD (pH = 7.4): 6.5065455
• Log P: 6.5065455
• 摩尔折射率: 145.2 cm^3
• 极化性: 55.225677 Å^3
• 极化表面积: 65.07 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds