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

• ChemBase编号: 184355
• 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)CCC)N1C[C@]3(C(=O)[C@@](C1)(CN2C3)C)C
• Canonical SMILES: CCCN1c2ccccc2C2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)C)C
• InChI: InChI=1S/C20H25N3O2/c1-4-9-23-15-8-6-5-7-14(15)20(17(23)25)21-10-18(2)11-22(20)13-19(3,12-21)16(18)24/h5-8H,4,9-13H2,1-3H3/t18-,19+,20?
• InChIKey: DHUPXYDROXUBOS-YOFSQIOKSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164240265
• PubChem CID: 702963

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.11757
• LogD (pH = 7.4): 3.1366143
• Log P: 3.1368628
• 摩尔折射率: 95.9608 cm^3
• 极化性: 37.50732 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