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

• ChemBase编号: 191983
• 分子式: C23H26N2O3
• 平均质量: 378.46414
• 单一同位素质量: 378.1943427
• SMILES: N12C3(Oc4c(C2CC(=N1)c1ccccc1)cccc4OC)CC(OCC3)(C)C
• Canonical SMILES: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccccc1
• InChI: InChI=1S/C23H26N2O3/c1-22(2)15-23(12-13-27-22)25-19(14-18(24-25)16-8-5-4-6-9-16)17-10-7-11-20(26-3)21(17)28-23/h4-11,19H,12-15H2,1-3H3
• InChIKey: CBDXQNJHOXWFAA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10'-methoxy-6,6-dimethyl-4'-phenyl-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: 10'-methoxy-6,6-dimethyl-4'-phenyl-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: 164247893
• PubChem CID: 3698384

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.226583
• LogD (pH = 7.4): 4.2279882
• Log P: 4.2280064
• 摩尔折射率: 106.8721 cm^3
• 极化性: 42.175594 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