1,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxylic acid

HCID 5282526

基本情報

標準SMILES
CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)O)c(Cc3ccccc3C(F)(F)F)sc21
InChIKey
KGBBRLNBIWOSOK-UHFFFAOYSA-N
分子式
C20H19F3N2O4S
平均分子量
440.4 g/mol

名称と識別子

優先名称
1,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxylic acid
IUPAC
3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxylic acid

名称と別名

1,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxylic acidSCHEMBL48020411,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]-thieno[2,3-d]pyrimidine-5-carboxylic acid1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[2-(trifluoromethyl)-phenylmethyl]thieno[2,3-d]pyrimidine-5-carboxylic acid1,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[2-(trifluoromethyl)phenylmethyl]thieno[2,3-d]pyrimidine-5-carboxylic acid

データベース識別子

PubChem CID
5282526

物性

構造計算による物性

XLogP
4.5
極性表面積
106 Ų
水素結合供与体数
1
水素結合受容体数
8
回転可能結合数
5
重原子数
30

関連反応

4 件

化合物ノート

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