HCID57883524

1-Cyclohexyl-1-(trans-4-methyl-cyclohexyl)-3-[5-(2-morpholin-4-yl-ethylsulfanyl)-thiazol-2-yl]-urea

1-cyclohexyl-1-(4-methylcyclohexyl)-3-[5-(2-morpholin-4-ylethylsulfanyl)-1,3-thiazol-2-yl]urea

C23H38N4O2S2466.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1CCC(N(C(=O)Nc2ncc(SCCN3CCOCC3)s2)C2CCCCC2)CC1
InChIKey: IUIUOLDSPOQGQK-UHFFFAOYSA-N
分子式: C23H38N4O2S2
平均分子量: 466.7 g/mol
单同位素质量: 466.24361881

COMPUTED

结构计算性质

已同步

XLogP: 4.9
极性表面积: 111 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 7
重原子: 31
形式电荷: 0
复杂度: 550

ALIASES

名称与别名

共 5 条

SCHEMBL999323SCHEMBL999325IUIUOLDSPOQGQK-KESTWPANSA-N1-Cyclohexyl-1-(trans-4-methyl-cyclohexyl)-3-[5-(2-morpholin-4-yl-ethylsulfanyl)-thiazol-2-yl]-urea1-Cyclohexyl-1-(trans-4-methyl-cyclohexyl)-3-[5-(2-morpholin-4-yl-ethylsulfanyl)thiazol-2-yl]-urea

REACTIONS

参与反应

1 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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