HCID9908511

4-[[5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyridine

4-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine

C19H19Cl2N3S392.3 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1nn(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)c1Cc1ccncc1
InChIKey: OPLKUWLCOHVKMH-UHFFFAOYSA-N
分子式: C19H19Cl2N3S
平均分子量: 392.3 g/mol
单同位素质量: 391.0676742

COMPUTED

结构计算性质

已同步

XLogP: 5.8
极性表面积: 56 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 5
重原子: 25
形式电荷: 0
复杂度: 409

ALIASES

名称与别名

共 6 条

SCHEMBL5244652SCHEMBL5244657OPLKUWLCOHVKMH-UHFFFAOYSA-N1H-Pyrazole, 5-[(3,5-dichlorophenyl)thio]-1-isopropyl-3-methyl-4-[(4-pyridinyl)methyl]-4-[[5-(3,5-dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyridine4-[5-(3,5-dichloro-phenylsulfanyl)-1-isopropyl-3-methyl-1H-pyrazol-4-ylmethyl]-pyridine

REACTIONS

参与反应

3 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699887B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07183296B2

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