3-(5-chloro-2,4-dimethoxyphenyl)-12-methyl-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one

• ChemBase编号: 204735
• 分子式: C24H20ClNO5
• 平均质量: 437.8723
• 单一同位素质量: 437.10300043
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)OCN(c2cc(c(cc2OC)OC)Cl)C1
• Canonical SMILES: COc1cc(OC)c(cc1N1COc2c(C1)cc1c(c2C)oc(=O)c2c1cccc2)Cl
• InChI: InChI=1S/C24H20ClNO5/c1-13-22-14(8-17-15-6-4-5-7-16(15)24(27)31-23(13)17)11-26(12-30-22)19-9-18(25)20(28-2)10-21(19)29-3/h4-10H,11-12H2,1-3H3
• InChIKey: GWCPQEWEZVDKBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(5-chloro-2,4-dimethoxyphenyl)-12-methyl-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one
• IUPAC传统名: 3-(5-chloro-2,4-dimethoxyphenyl)-12-methyl-2,4-dihydro-1,11-dioxa-3-azatetraphen-10-one

登记号

• PubChem SID: 164260645
• PubChem CID: 1770191

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.340873
• LogD (pH = 7.4): 5.340873
• Log P: 5.340873
• 摩尔折射率: 118.0564 cm^3
• 极化性: 46.147446 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 3
• 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