4'-(2-methoxyphenyl)-6,6-dimethyl-8'-oxa-5',6'-diazaspiro[oxane-4,7'-tricyclo[7.4.0.02,6]tridecane]-1'(9'),4',10',12'-tetraene

• ChemBase编号: 192431
• 分子式: C23H26N2O3
• 平均质量: 378.46414
• 单一同位素质量: 378.1943427
• SMILES: N12C3(Oc4c(C2CC(=N1)c1c(OC)cccc1)cccc4)CC(OCC3)(C)C
• Canonical SMILES: COc1ccccc1C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C
• InChI: InChI=1S/C23H26N2O3/c1-22(2)15-23(12-13-27-22)25-19(17-9-5-7-11-21(17)28-23)14-18(24-25)16-8-4-6-10-20(16)26-3/h4-11,19H,12-15H2,1-3H3
• InChIKey: FMIWDKMHNWWDFR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4'-(2-methoxyphenyl)-6,6-dimethyl-8'-oxa-5',6'-diazaspiro[oxane-4,7'-tricyclo[7.4.0.0^2,^6]tridecane]-1'(9'),4',10',12'-tetraene
• IUPAC传统名: 4'-(2-methoxyphenyl)-6,6-dimethyl-8'-oxa-5',6'-diazaspiro[oxane-4,7'-tricyclo[7.4.0.0^2,^6]tridecane]-1'(9'),4',10',12'-tetraene

登记号

• PubChem SID: 164248341
• PubChem CID: 4209064

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.2275167
• LogD (pH = 7.4): 4.228
• Log P: 4.2280064
• 摩尔折射率: 106.8721 cm^3
• 极化性: 42.175735 Å^3
• 极化表面积: 43.29 Å^2
• 可自由旋转的化学键: 2
• 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