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

• ChemBase编号: 188935
• 分子式: C21H27N3O2
• 平均质量: 353.45798
• 单一同位素质量: 353.21032712
• SMILES: C12(C(=O)N(c3c1cccc3)CC)N1C[C@]3(C(=O)[C@](CN2C3)(C1)CC)CC
• Canonical SMILES: CCN1c2ccccc2C2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)CC)CC
• InChI: InChI=1S/C21H27N3O2/c1-4-19-11-22-13-20(5-2,17(19)25)14-23(12-19)21(22)15-9-7-8-10-16(15)24(6-3)18(21)26/h7-10H,4-6,11-14H2,1-3H3/t19-,20+,21?
• InChIKey: FRXTUAULRKGENB-WCRBZPEASA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164244845
• PubChem CID: 1427602

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.4501407
• LogD (pH = 7.4): 3.5027637
• Log P: 3.5034776
• 摩尔折射率: 100.6388 cm^3
• 极化性: 39.34898 Å^3
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 3
• 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