8'-methoxy-1,5,16',18',18'-pentamethyl-2',4'-diazaspiro[1,5-diazinane-3,14'-pentacyclo[14.3.1.02,15.03,12.05,10]icosane]-3'(12'),4',6',8',10'-pentaene-2,4,6-trione

• ChemBase编号: 218314
• 分子式: C27H32N4O4
• 平均质量: 476.56738
• 单一同位素质量: 476.24235552
• SMILES: C12(C(=O)N(C(=O)N(C1=O)C)C)C1N(c3nc4c(cc3C2)cc(cc4)OC)C2CC1(CC(C2)(C)C)C
• Canonical SMILES: COc1ccc2c(c1)cc1c(n2)N2C3CC(CC(C2C2(C1)C(=O)N(C)C(=O)N(C2=O)C)(C3)C)(C)C
• InChI: InChI=1S/C27H32N4O4/c1-25(2)12-17-13-26(3,14-25)21-27(22(32)29(4)24(34)30(5)23(27)33)11-16-9-15-10-18(35-6)7-8-19(15)28-20(16)31(17)21/h7-10,17,21H,11-14H2,1-6H3
• InChIKey: VWPPQABJUJNTQG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8'-methoxy-1,5,16',18',18'-pentamethyl-2',4'-diazaspiro[1,5-diazinane-3,14'-pentacyclo[14.3.1.0^2,^1^5.0^3,^1^2.0^5,^1^0]icosane]-3'(12'),4',6',8',10'-pentaene-2,4,6-trione
• IUPAC传统名: 8'-methoxy-1,5,16',18',18'-pentamethyl-2',4'-diazaspiro[1,5-diazinane-3,14'-pentacyclo[14.3.1.0^2,^1^5.0^3,^1^2.0^5,^1^0]icosane]-3'(12'),4',6',8',10'-pentaene-2,4,6-trione

登记号

• PubChem SID: 164274224
• PubChem CID: 16408286

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.7164276
• LogD (pH = 7.4): 4.0581512
• Log P: 4.064949
• 摩尔折射率: 130.4249 cm^3
• 极化性: 51.47408 Å^3
• 极化表面积: 83.05 Å^2
• 可自由旋转的化学键: 1
• 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