3-(4-methoxybenzoyl)-1-pentyl-1H-indole

• ChemBase编号: 129240
• 分子式: C21H23NO2
• 平均质量: 321.41282
• 单一同位素质量: 321.17287898
• SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)OC
• Canonical SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)OC
• InChI: InChI=1S/C21H23NO2/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3
• InChIKey: OZCYJKDWRUIFFE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(4-methoxybenzoyl)-1-pentyl-1H-indole
• IUPAC传统名: rcs-4
• 别名: RCS-4; (4-Methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone

登记号

• CAS号: 1345966-78-0
• PubChem SID: 162223534
• PubChem CID: 56841530
• Chemspider ID: 24769418
• 维基百科标题: RCS-4

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.3658333
• LogD (pH = 7.4): 5.3658333
• Log P: 5.3658333
• 摩尔折射率: 97.5545 cm^3
• 极化性: 38.9024 Å^3
• 极化表面积: 31.23 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

药理学性质

• 法定药品分级: Illegal in Sweden, I-N (Poland)

详细说明

Toronto Research Chemicals - R129200

RCS-4 is a synthetic JWH 018 cannabinoid analog that has been identified as a component of several different ‘herbal incense’ products. The biological activity of RCS-4 has not been reported.