tert-Butyl-2-(6-((2-(acetylamino)-1,3-benzothiazol-4-yl)oxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenylcarbamate

HCID 11957782

基本情報

標準SMILES
CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)OC(C)(C)C)ncn3)cccc2s1
InChIKey
JXKLZZJMXYNAFG-UHFFFAOYSA-N
分子式
C25H22F3N5O4S
平均分子量
545.5 g/mol

概要

vanilloid receptor TRPV1 antagonist

名称と識別子

優先名称
tert-Butyl-2-(6-((2-(acetylamino)-1,3-benzothiazol-4-yl)oxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenylcarbamate
IUPAC
tert-butyl N-[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]carbamate

名称と別名

659731-59-6RefChem:932756tert-butyl-2-(6-((2-(acetylamino)-1,3-benzothiazol-4-yl)oxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenylcarbamateAMG8163{2-[6-(2-acetylamino-benzothiazol-4-yloxy)-pyrimidin-4-yl]-5-trifluoromethyl-phenyl}carbamic acid tert-butyl estertert-butyl N-[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]carbamate(2-[6-(2-Acetylamino-benzothiazol-4-yloxy)-pyrimidin-4-yl]-5-trifluoromethyl-phenyl}-carbamic acid tert-butyl ester{2-[6-(2-acetylamino-benzothiazol-4-yloxy)-pyrimidin-4-yl]-5-trifluoromethyl-phenyl}-carbamic acid tert-butyl esterorb1703745SCHEMBL1040737SCHEMBL30875921GLXC-05775
名称をさらに表示
AKOS040745555N-[2-[6-[[2-(Acetylamino)-4-benzothiazolyl]oxy]-4-pyrimidinyl]-5-(trifluoromethyl)phenyl]-carbamic acid 1,1-dimethylethyl esterHY-121080T23723N-[2-[6-[[2-(Acetylamino)-4-benzothiazolyl]oxy]-4-pyrimidinyl]-5-(trifluoromethyl)phenyl]-carbamic acid 1,1-dimethylethyl ester; tert-Butyl-2-(6-([2-(acetylamino)-1,3-benzothiazol-4-yl]oxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenylcarbamate

データベース識別子

PubChem CID
11957782

物性

構造計算による物性

XLogP
5.1
極性表面積
144 Ų
水素結合供与体数
2
水素結合受容体数
11
回転可能結合数
7
重原子数
38

関連反応

8 件

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