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

• ChemBase编号: 214321
• 分子式: C19H24N2O
• 平均质量: 296.40666
• 单一同位素质量: 296.1888634
• SMILES: [C@]12(C(=O)[C@@]3(CN(C4(N(C1)C3)CCCC4)C2)C)c1ccccc1
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@]1(CN(C2)C13CCCC1)c1ccccc1
• InChI: InChI=1S/C19H24N2O/c1-17-11-20-13-18(16(17)22,15-7-3-2-4-8-15)14-21(12-17)19(20)9-5-6-10-19/h2-4,7-8H,5-6,9-14H2,1H3/t17-,18+
• InChIKey: LSTKLLCPVKPLCF-HDICACEKSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164270231
• PubChem CID: 2986207

理论计算性质

• LogD (pH = 5.5): 1.9848977
• LogD (pH = 7.4): 3.2791598
• Log P: 3.3969111
• 摩尔折射率: 87.5644 cm^3
• 极化性: 34.49038 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
• 质子受体: 3
• 质子供体: 0

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds