HCID89619232

Tert-butyl 4-(2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl)-3-(2-hydroxyethyl)piperazine-1-carboxylate

tert-butyl 4-[2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl]-3-(2-hydroxyethyl)piperazine-1-carboxylate

C21H30FN3O4407.5 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Cc1c(C(O)CN2CCN(C(=O)OC(C)(C)C)CC2CCO)ccc(F)c1C#N
InChIKey: ZXNDSGMYJFAPSA-UHFFFAOYSA-N
分子式: C21H30FN3O4
平均分子量: 407.5 g/mol
单同位素质量: 407.22203461

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 97 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 7
重原子: 29
形式电荷: 0
复杂度: 602

ALIASES

名称与别名

共 3 条

SCHEMBL15018276ZXNDSGMYJFAPSA-UHFFFAOYSA-Ntert-butyl 4-(2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl)-3-(2-hydroxyethyl)piperazine-1-carboxylate

REACTIONS

参与反应

2 条

uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09206199B2

查看

uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09206199B2

查看