HCID54544444

(2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl)-4-[4-(3,3-dimethylmorpholino)-2-butynyl]piperazine

[3,5-bis(trifluoromethyl)phenyl]-[(2R)-4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone

C32H37F6N3O2609.6 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: Cc1ccc(C[C@@H]2CN(CC#CCN3CCOCC3(C)C)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C
InChIKey: ZFNZINPMBWCEHM-MUUNZHRXSA-N
分子式: C32H37F6N3O2
平均分子量: 609.6 g/mol
单同位素质量: 609.2789964

COMPUTED

结构计算性质

已同步

XLogP: 6.1
极性表面积: 36 Å²
氢键供体: 0
氢键受体: 10
可旋转键: 5
重原子: 43
形式电荷: 0
复杂度: 996

ALIASES

名称与别名

共 4 条

(2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl)-4-[4-(3,3-dimethylmorpholino)-2-butynyl]piperazineSCHEMBL6132447(2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl) -4-[4-(3,3-dimethylmorpholino)-2-butynyl]piperazine(2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl)-4-[4-(3,3-dimethylmorpholino)-2-butynyl]-piperazine

REACTIONS

参与反应

1 条

uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06924278B2

查看