HCID87485281

Rac-cis-2-[4-(4-cyclopropylcarbamoyl-phenyl)-thiazol-2-ylcarbamoyl]-cyclopentanecarboxylic acid methyl ester

cis-methyl (1R,2S)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylate

C21H23N3O4S413.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccc(C(=O)NC3CC3)cc2)cs1
InChIKey: YESWUAGRHWXWGK-JKSUJKDBSA-N
分子式: C21H23N3O4S
平均分子量: 413.5 g/mol
单同位素质量: 413.1409274

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 126 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 7
重原子: 29
形式电荷: 0
复杂度: 633

ALIASES

名称与别名

共 4 条

SCHEMBL3144530YESWUAGRHWXWGK-JKSUJKDBSA-Nrac-cis -2-[4-(4-cyclopropylcarbamoyl-phenyl)-thiazol-2-ylcarbamoyl]-cyclopentanecarboxylic acid methyl esterrac-cis-2-[4-(4-cyclopropylcarbamoyl-phenyl)-thiazol-2-ylcarbamoyl]-cyclopentanecarboxylic acid methyl ester

REACTIONS

参与反应

2 条

uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595398B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595398B2

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