4'-(3-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: 192619
• 分子式: C23H26N2O3
• 平均质量: 378.46414
• 单一同位素质量: 378.1943427
• SMILES: N12C3(Oc4c(C2CC(=N1)c1cc(OC)ccc1)cccc4)CC(OCC3)(C)C
• Canonical SMILES: COc1cccc(c1)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C
• InChI: InChI=1S/C23H26N2O3/c1-22(2)15-23(11-12-27-22)25-20(18-9-4-5-10-21(18)28-23)14-19(24-25)16-7-6-8-17(13-16)26-3/h4-10,13,20H,11-12,14-15H2,1-3H3
• InChIKey: HZGKIKCZPCBRSK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4'-(3-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'-(3-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: 164248529
• PubChem CID: 4366241

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.2268586
• LogD (pH = 7.4): 4.227992
• Log P: 4.2280064
• 摩尔折射率: 106.8721 cm^3
• 极化性: 42.173992 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