(5's,7'r)-5,5',7'-trimethyl-1-propyl-1,2-dihydro-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.13,7]decane]-2,6'-dione

• ChemBase编号: 184698
• 分子式: C21H27N3O2
• 平均质量: 353.45798
• 单一同位素质量: 353.21032712
• SMILES: [C@@]12(C(=O)N(c3c1cc(cc3)C)CCC)N1C[C@@]3(C(=O)[C@](C1)(CN2C3)C)C
• Canonical SMILES: CCCN1c2ccc(cc2[C@@]2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)C)C)C
• InChI: InChI=1S/C21H27N3O2/c1-5-8-24-16-7-6-14(2)9-15(16)21(18(24)26)22-10-19(3)11-23(21)13-20(4,12-22)17(19)25/h6-7,9H,5,8,10-13H2,1-4H3/t19-,20+,21-
• InChIKey: HNRQAKPGVDSGNL-WKCHPHFGSA-N

名称和登记号

名称

• IUPAC标准名: (5's,7'r)-5,5',7'-trimethyl-1-propyl-1,2-dihydro-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione
• IUPAC传统名: (5's,7'r)-5,5',7'-trimethyl-1-propyl-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione

登记号

• PubChem SID: 164240608
• PubChem CID: 1359248

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.6277406
• LogD (pH = 7.4): 3.649993
• Log P: 3.650284
• 摩尔折射率: 101.002 cm^3
• 极化性: 39.271297 Å^3
• 极化表面积: 43.86 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