HCID59732686

(2-{2-[3-(2-Cyclopentanecarbonyl-4-methyl-phenyl)-ureido]-thiazol-5-ylsulfanyl}-ethyl)-carbamic acid tert-butyl ester

tert-butyl N-[2-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-5-yl]sulfanyl]ethyl]carbamate

C24H32N4O4S2504.7 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(NC(=O)Nc2ncc(SCCNC(=O)OC(C)(C)C)s2)c(C(=O)C2CCCC2)c1
InChIKey: BIYPRAPWIOCZNF-UHFFFAOYSA-N
分子式: C24H32N4O4S2
平均分子量: 504.7 g/mol
单同位素质量: 504.18649786

COMPUTED

结构计算性质

已同步

XLogP: 5.5
极性表面积: 163 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 10
重原子: 34
形式电荷: 0
复杂度: 712

ALIASES

名称与别名

共 3 条

SCHEMBL1339412BIYPRAPWIOCZNF-UHFFFAOYSA-N(2-{2-[3-(2-Cyclopentanecarbonyl-4-methyl-phenyl)-ureido]-thiazol-5-ylsulfanyl}-ethyl)-carbamic acid tert-butyl ester

REACTIONS

参与反应

6 条

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384967B2

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08063081B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07897628B2

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2009_06 · 10.6084/m9.figshare.5104873.v1 · US07541373B2

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uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · USRE045670E1

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