HCID59732797

1-(5-Bromothiazol-2-yl)-3-(2-cyclopentanecarbonyl-4-methyl-phenyl)-urea

1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea

C17H18BrN3O2S408.3 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(NC(=O)Nc2ncc(Br)s2)c(C(=O)C2CCCC2)c1
InChIKey: ZVESGGGUTCWYOH-UHFFFAOYSA-N
分子式: C17H18BrN3O2S
平均分子量: 408.3 g/mol
单同位素质量: 407.03031

COMPUTED

结构计算性质

已同步

XLogP: 5
极性表面积: 99.3 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 4
重原子: 24
形式电荷: 0
复杂度: 473

ALIASES

名称与别名

共 6 条

SCHEMBL1341036ZVESGGGUTCWYOH-UHFFFAOYSA-N1-(5-bromo-thiazol-2-yl)-3-(2-cyclo pentanecarbonyl-4-methyl-phenyl)-urea1-(5-bromo-thiazol-2-yl)-3-(2-cyclopentanecarbonyl-4-methyl-phenyl)-urea1-(5-bromothiazol-2-yl)-3-(2-cyclo pentanecarbonyl-4-methyl-phenyl)-urea1-(5-bromothiazol-2-yl)-3-(2-cyclopentanecarbonyl-4-methyl-phenyl)-urea

REACTIONS