HCID22282040

N-[3-(2-hydroxyethoxy)-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]-5-isopropyl-2-pyridinesulfonamide

N-[3-(2-hydroxyethoxy)-1-methyl-4-(4-methylphenyl)pyrazol-5-yl]-5-propan-2-ylpyridine-2-sulfonamide

C21H26N4O4S430.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(-c2c(OCCO)nn(C)c2NS(=O)(=O)c2ccc(C(C)C)cn2)cc1
InChIKey: ZSHSFLDWIYAZBG-UHFFFAOYSA-N
分子式: C21H26N4O4S
平均分子量: 430.5 g/mol
单同位素质量: 430.1674765

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 115 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 8
重原子: 30
形式电荷: 0
复杂度: 633

ALIASES

名称与别名

共 3 条

SCHEMBL6289312ZSHSFLDWIYAZBG-UHFFFAOYSA-NN-[3-(2-hydroxyethoxy)-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]-5-isopropyl-2-pyridinesulfonamide

REACTIONS

参与反应

6 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID172506

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

作为反应物

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

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HRID184124

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

作为反应物

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

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HRID1062736

uspto-grants-2005_11

作为反应物

uspto-grants-2005_11 · 10.6084/m9.figshare.5104873.v1 · US06962923B2

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HRID1062737

uspto-grants-2005_11

作为反应物

uspto-grants-2005_11 · 10.6084/m9.figshare.5104873.v1 · US06962923B2

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HRID1368594

uspto-grants-2003_06

作为反应物

uspto-grants-2003_06 · 10.6084/m9.figshare.5104873.v1 · US06573270B1

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HRID1368595

uspto-grants-2003_06

作为反应物

uspto-grants-2003_06 · 10.6084/m9.figshare.5104873.v1 · US06573270B1

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