HCID58267974

1-(3-(6,7-Dimethoxyquinazolin-4-ylthio)phenyl)-3-(3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl)urea

1-[3-(6,7-dimethoxyquinazolin-4-yl)sulfanylphenyl]-3-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]urea

C27H25F3N4O5S574.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COCCOc1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)cc(C(F)(F)F)c1
InChIKey: DSMYSMGMTQKHFZ-UHFFFAOYSA-N
分子式: C27H25F3N4O5S
平均分子量: 574.6 g/mol
单同位素质量: 574.14977557

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 129 Å²
氢键供体: 2
氢键受体: 11
可旋转键: 10
重原子: 40
形式电荷: 0
复杂度: 800

ALIASES

名称与别名

共 6 条

1-(3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl)-3-(3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl)ureaSCHEMBL1012630CHEMBL6021074BDBM333651US9730937, Example 2001-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl)- 3-(3- (2- methoxyethoxy)- 5- (trifluoromethyl) phenyl) urea

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09320739B2

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uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08969587B2

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08618289B2

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