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

• ChemBase编号: 213043
• 分子式: C19H23N3O2
• 平均质量: 325.40482
• 单一同位素质量: 325.17902699
• SMILES: C12(C(=O)N(c3c1cccc3)C)N1C[C@@]3(C(=O)[C@](C1)(CN2C3)CC)C
• Canonical SMILES: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C13C(=O)N(c2c1cccc2)C)C
• InChI: InChI=1S/C19H23N3O2/c1-4-18-11-21-9-17(2,15(18)23)10-22(12-18)19(21)13-7-5-6-8-14(13)20(3)16(19)24/h5-8H,4,9-12H2,1-3H3/t17-,18+,19?
• InChIKey: WDLXTABTDKVXFB-DFNIBXOVSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164268953
• PubChem CID: 4966447

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.667873
• LogD (pH = 7.4): 2.701653
• Log P: 2.702101
• 摩尔折射率: 91.2892 cm^3
• 极化性: 35.66633 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