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

• ChemBase编号: 197833
• 分子式: C20H25N3O2
• 平均质量: 339.4314
• 单一同位素质量: 339.19467706
• SMILES: C12(C(=O)N(c3c1cccc3)C)N1C[C@@]3(C(=O)[C@@](CN2C3)(C1)CCC)C
• Canonical SMILES: CCC[C@]12CN3C[C@@](C2=O)(CN(C1)C13C(=O)N(c2c1cccc2)C)C
• InChI: InChI=1S/C20H25N3O2/c1-4-9-19-12-22-10-18(2,16(19)24)11-23(13-19)20(22)14-7-5-6-8-15(14)21(3)17(20)25/h5-8H,4,9-13H2,1-3H3/t18-,19+,20?
• InChIKey: UKYOTCUXTCZGSN-YOFSQIOKSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164253743
• PubChem CID: 907608

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.1111443
• LogD (pH = 7.4): 3.146204
• Log P: 3.1466696
• 摩尔折射率: 95.8902 cm^3
• 极化性: 37.50748 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

• 简要说明: 2 Stereoisomers
• 分类: Derivatives & analogs of Natural Compounds