8-methoxy-12-methyl-11-(naphthalene-2-carbonyl)-4,6-dioxa-12-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),8,10-tetraene

• ChemBase编号: 224086
• 分子式: C24H21NO4
• 平均质量: 387.42784
• 单一同位素质量: 387.14705816
• SMILES: C1(=Cc2c(c3c(cc2CCN1C)OCO3)OC)C(=O)c1cc2c(cc1)cccc2
• Canonical SMILES: COc1c2C=C(N(CCc2cc2c1OCO2)C)C(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C24H21NO4/c1-25-10-9-17-12-21-24(29-14-28-21)23(27-2)19(17)13-20(25)22(26)18-8-7-15-5-3-4-6-16(15)11-18/h3-8,11-13H,9-10,14H2,1-2H3
• InChIKey: IECWBBGVEKTQQB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-methoxy-12-methyl-11-(naphthalene-2-carbonyl)-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene
• IUPAC传统名: 8-methoxy-12-methyl-11-(naphthalene-2-carbonyl)-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene

登记号

• PubChem SID: 164279996
• PubChem CID: 49652720

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.0365386
• LogD (pH = 7.4): 4.0449343
• Log P: 4.0450425
• 摩尔折射率: 112.5611 cm^3
• 极化性: 43.677967 Å^3
• 极化表面积: 48.0 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