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tert-Butyl 4-((3-(5-methyl-1H-tetrazol-1-yl)-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylate 分子结构式
HCID58993687

tert-Butyl 4-((3-(5-methyl-1H-tetrazol-1-yl)-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylate

tert-butyl 4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylate

C27H32F3N5O3531.6 g/mol
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IDENTITY

结构与身份

标准SMILES
Cc1nnnn1-c1cc(COCC2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1
InChIKey
TUAVWUYFYMDNAV-UHFFFAOYSA-N
分子式
C27H32F3N5O3
平均分子量
531.6 g/mol
单同位素质量
531.24572439

COMPUTED

结构计算性质

已同步
XLogP
5.3
极性表面积
82.4 Ų
氢键供体
0
氢键受体
9
可旋转键
8
重原子
38
形式电荷
0
复杂度
779

ALIASES

名称与别名

共 2 条
tert-Butyl 4-((3-(5-methyl-1H-tetrazol-1-yl)-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylateSCHEMBL13404383

REACTIONS

相关反应

4 条
HRID 211247 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 391413 反应方程式

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08383821B2

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HRID 391470 反应方程式

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08383821B2

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HRID 2327021 反应方程式

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

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