4'-(furan-2-yl)-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: 192522
• 分子式: C21H24N2O4
• 平均质量: 368.42626
• 单一同位素质量: 368.17360726
• SMILES: N12C3(Oc4c(C2CC(=N1)c1occc1)cccc4OC)CC(OCC3)(C)C
• Canonical SMILES: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccco1
• InChI: InChI=1S/C21H24N2O4/c1-20(2)13-21(9-11-26-20)23-16(12-15(22-23)17-8-5-10-25-17)14-6-4-7-18(24-3)19(14)27-21/h4-8,10,16H,9,11-13H2,1-3H3
• InChIKey: PGCHGQULJAVVAW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4'-(furan-2-yl)-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'-(furan-2-yl)-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: 164248432
• PubChem CID: 3702264

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.2882454
• LogD (pH = 7.4): 3.2882528
• Log P: 3.2882528
• 摩尔折射率: 99.263 cm^3
• 极化性: 39.057087 Å^3
• 极化表面积: 56.43 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