4'-(2,4-dichlorophenyl)-10'-methoxy-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: 191608
• 分子式: C23H24Cl2N2O3
• 平均质量: 447.35426
• 单一同位素质量: 446.116398
• SMILES: N12C3(Oc4c(C2CC(=N1)c1c(cc(cc1)Cl)Cl)cccc4OC)CC(OCC3)(C)C
• Canonical SMILES: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C23H24Cl2N2O3/c1-22(2)13-23(9-10-29-22)27-19(16-5-4-6-20(28-3)21(16)30-23)12-18(26-27)15-8-7-14(24)11-17(15)25/h4-8,11,19H,9-10,12-13H2,1-3H3
• InChIKey: ILMDZPHZUORDBY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4'-(2,4-dichlorophenyl)-10'-methoxy-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'-(2,4-dichlorophenyl)-10'-methoxy-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: 164247518
• PubChem CID: 3806748

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.43599
• LogD (pH = 7.4): 5.4360943
• Log P: 5.4360957
• 摩尔折射率: 116.4817 cm^3
• 极化性: 45.946896 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: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds