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

• ChemBase编号: 212910
• 分子式: C20H25N3O2
• 平均质量: 339.4314
• 单一同位素质量: 339.19467706
• SMILES: C12(C(=O)N(c3c1cc(cc3)C)C)N1C[C@@]3(C(=O)[C@](C1)(CN2C3)CC)C
• Canonical SMILES: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C13C(=O)N(c2c1cc(C)cc2)C)C
• InChI: InChI=1S/C20H25N3O2/c1-5-19-11-22-9-18(3,16(19)24)10-23(12-19)20(22)14-8-13(2)6-7-15(14)21(4)17(20)25/h6-8H,5,9-12H2,1-4H3/t18-,19+,20?
• InChIKey: ZIGLKSZDRMYMDI-YOFSQIOKSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164268820
• PubChem CID: 4966172

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.1766443
• LogD (pH = 7.4): 3.2150106
• Log P: 3.2155223
• 摩尔折射率: 96.3304 cm^3
• 极化性: 37.43 Å^3
• 极化表面积: 43.86 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