4-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(3-methylthiophen-2-yl)-1,3-thiazole

• ChemBase编号: 86274
• 分子式: C24H29NS2
• 平均质量: 395.62376
• 单一同位素质量: 395.17414193
• SMILES: n1c(c2c(ccs2)C)scc1c1cc2c(cc1CC)C(CCC2(C)C)(C)C
• Canonical SMILES: CCc1cc2c(cc1c1csc(n1)c1sccc1C)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C24H29NS2/c1-7-16-12-18-19(24(5,6)10-9-23(18,3)4)13-17(16)20-14-27-22(25-20)21-15(2)8-11-26-21/h8,11-14H,7,9-10H2,1-6H3
• InChIKey: IOSFTXLJRKVWRC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(3-methylthiophen-2-yl)-1,3-thiazole
• IUPAC传统名: 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(3-methylthiophen-2-yl)-1,3-thiazole
• 别名: 4-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(3-methyl-2-thienyl)-1,3-thiazole

登记号

• MDL号: MFCD01567198
• PubChem SID: 162073390
• PubChem CID: 2798310

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 8.564817
• LogD (pH = 7.4): 8.564831
• Log P: 8.564831
• 摩尔折射率: 128.2351 cm^3
• 极化性: 47.265057 Å^3
• 极化表面积: 12.89 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false