6-methoxy-4-{8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),8,10-tetraen-11-yl}-2H-chromen-2-one

• ChemBase编号: 226678
• 分子式: C23H21NO6
• 平均质量: 407.41594
• 单一同位素质量: 407.1368874
• SMILES: c1(C2=Cc3c(c4c(cc3CCN2C)OCO4)OC)c2c(oc(=O)c1)ccc(c2)OC
• Canonical SMILES: COc1c2C=C(N(CCc2cc2c1OCO2)C)c1cc(=O)oc2c1cc(OC)cc2
• InChI: InChI=1S/C23H21NO6/c1-24-7-6-13-8-20-23(29-12-28-20)22(27-3)15(13)10-18(24)16-11-21(25)30-19-5-4-14(26-2)9-17(16)19/h4-5,8-11H,6-7,12H2,1-3H3
• InChIKey: UHMKFMPNYGOSQB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-methoxy-4-{8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraen-11-yl}-2H-chromen-2-one
• IUPAC传统名: 6-methoxy-4-{8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraen-11-yl}chromen-2-one

登记号

• PubChem SID: 164282588
• PubChem CID: 71753836

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 2.6307676
• LogD (pH = 7.4): 2.681172
• Log P: 2.6818538
• 摩尔折射率: 111.8662 cm^3
• 极化性: 42.179462 Å^3
• 极化表面积: 66.46 Å^2
• 可自由旋转的化学键: 3
• 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