HCID67438298

(S)-tert-butyl 2-(3-(3-hydroxypyrrolidin-1-yl)phenyl)-4-(1-methyl-1H-pyrazol-4-ylcarbamoyl)thiazol-5-ylcarbamate

tert-butyl N-[2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]-4-[(1-methylpyrazol-4-yl)carbamoyl]-1,3-thiazol-5-yl]carbamate

C23H28N6O4S484.6 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: Cn1cc(NC(=O)c2nc(-c3cccc(N4CC[C@H](O)C4)c3)sc2NC(=O)OC(C)(C)C)cn1
InChIKey: GGCNIGNEPLOXOA-KRWDZBQOSA-N
分子式: C23H28N6O4S
平均分子量: 484.6 g/mol
单同位素质量: 484.18927457

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 150 Å²
氢键供体: 3
氢键受体: 8
可旋转键: 7
重原子: 34
形式电荷: 0
复杂度: 737

ALIASES

名称与别名

共 3 条

SCHEMBL2523262GGCNIGNEPLOXOA-KRWDZBQOSA-N(S)-tert-butyl 2-(3-(3-hydroxypyrrolidin-1-yl)phenyl)-4-(1-methyl-1H-pyrazol-4-ylcarbamoyl)thiazol-5-ylcarbamate

REACTIONS

参与反应

2 条

uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08669361B2

查看

uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08436001B2

查看