HCID86591482

4-{6-Cyano-4-[4-(3-thiazol-2-ylureido)phenoxy]quinolin-7-yloxymethyl}piperidine-1-carboxylic acid tert-butyl ester

tert-butyl 4-[[6-cyano-4-[4-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]quinolin-7-yl]oxymethyl]piperidine-1-carboxylate

C31H32N6O5S600.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCC(COc2cc3nccc(Oc4ccc(NC(=O)Nc5nccs5)cc4)c3cc2C#N)CC1
InChIKey: HSECGGAELXLZDI-UHFFFAOYSA-N
分子式: C31H32N6O5S
平均分子量: 600.7 g/mol
单同位素质量: 600.21548932

COMPUTED

结构计算性质

已同步

XLogP: 5
极性表面积: 167 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 9
重原子: 43
形式电荷: 0
复杂度: 987

ALIASES

名称与别名

共 4 条

SCHEMBL1894846HSECGGAELXLZDI-UHFFFAOYSA-N4-(6-Cyano-4-(4-(3-thiazol-2-yl-ureido)-phenoxy)-quinolin-7-yloxymethyl)-piperidine-1-carboxylic acid tert-butyl-ester4-{6-Cyano-4-[4-(3-thiazol-2-ylureido)phenoxy]quinolin-7-yloxymethyl}piperidine-1-carboxylic acid tert-butyl ester

REACTIONS