(5's,7's)-7'-methyl-5'-phenyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.13,7]decane]-6'-one

• ChemBase编号: 214029
• 分子式: C20H26N2O
• 平均质量: 310.43324
• 单一同位素质量: 310.20451346
• SMILES: [C@]12(C(=O)[C@@]3(CN(C4(N(C1)C3)CCCCC4)C2)C)c1ccccc1
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@]1(CN(C2)C13CCCCC1)c1ccccc1
• InChI: InChI=1S/C20H26N2O/c1-18-12-21-14-19(17(18)23,16-8-4-2-5-9-16)15-22(13-18)20(21)10-6-3-7-11-20/h2,4-5,8-9H,3,6-7,10-15H2,1H3/t18-,19+
• InChIKey: MOSKNPSTMCLUSY-KDURUIRLSA-N

名称和登记号

名称

• IUPAC标准名: (5's,7's)-7'-methyl-5'-phenyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-one
• IUPAC传统名: (5'S,7'R)-7'-methyl-5'-phenyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-one

登记号

• PubChem SID: 164269939
• PubChem CID: 2224061

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.2185628
• LogD (pH = 7.4): 3.661751
• Log P: 3.8414798
• 摩尔折射率: 92.1654 cm^3
• 极化性: 36.33542 Å^3
• 极化表面积: 23.55 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