3,4,5-trimethoxy-N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}benzamide

• ChemBase编号: 129607
• 分子式: C26H29N5O4S
• 平均质量: 507.60456
• 单一同位素质量: 507.19402543
• SMILES: COc1cc(cc(c1OC)OC)C(=O)Nc1ccccc1c1cn2c(csc2n1)CN1CCNCC1
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)Nc1ccccc1c1cn2c(n1)scc2CN1CCNCC1
• InChI: InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32)
• InChIKey: SBEWVVLMFLTQFE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,4,5-trimethoxy-N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}benzamide
• IUPAC传统名: 3,4,5-trimethoxy-N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}benzamide
• 别名: SRT1460

登记号

• PubChem SID: 162223897
• PubChem CID: 24180124
• Chemspider ID: 23315250
• 维基百科标题: SRT1460

理论计算性质

• Acid pKa: 11.0723915
• 质子受体: 7
• 质子供体: 2
• LogD (pH = 5.5): -1.0621102
• LogD (pH = 7.4): 0.49216616
• Log P: 2.2142465
• 摩尔折射率: 152.3753 cm^3
• 极化性: 54.61743 Å^3
• 极化表面积: 89.36 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false