uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06747026B2
查看![4-{5-[(3,5-Bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-4-o-tolyl-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester 分子结构式](/api/mol/9852319/svg/360x280.svg)
HCID9852319
4-{5-[(3,5-Bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-4-o-tolyl-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester
tert-butyl 4-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylcarbamoyl]-4-(2-methylphenyl)-2-pyridinyl]piperazine-1-carboxylate
C32H34F6N4O3636.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1ccccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
- InChIKey
- ZEXSQXODARXCKB-UHFFFAOYSA-N
- 分子式
- C32H34F6N4O3
- 平均分子量
- 636.6 g/mol
- 单同位素质量
- 636.25350993
COMPUTED
结构计算性质
- XLogP
- 6.7
- 极性表面积
- 66 Ų
- 氢键供体
- 0
- 氢键受体
- 11
- 可旋转键
- 7
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 988
ALIASES
名称与别名
4-{5-[(3,5-bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-4-o-tolyl-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL905332
REACTIONS
参与反应
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uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06479483B2
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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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uspto-grants-2003_07 · 10.6084/m9.figshare.5104873.v1 · US06593472B2
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uspto-grants-2004_08 · 10.6084/m9.figshare.5104873.v1 · US06770637B2
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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
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