1,2,3,4-Tetrahydro-6-[hydroxy(1-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(1-methylethyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylic acid ethyl ester (HCID 69309829)

基本情報

標準SMILES: CCOC(=O)c1c(C(O)c2cnn(-c3ccccc3)c2)sc2c1c(=O)n(C)c(=O)n2C(C)C
InChIKey: NFDSIEXPYHAONU-UHFFFAOYSA-N
分子式: C23H24N4O5S
平均分子量: 468.5 g/mol

名称と識別子

優先名称: 1,2,3,4-Tetrahydro-6-[hydroxy(1-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(1-methylethyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylic acid ethyl ester
IUPAC: ethyl 6-[hydroxy-(1-phenylpyrazol-4-yl)methyl]-3-methyl-2,4-dioxo-1-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylate

名称と別名

SCHEMBL5096942NFDSIEXPYHAONU-UHFFFAOYSA-N1,2,3,4-Tetrahydro-6-[hydroxy(1-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(1-methylethyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylic acid ethyl ester

データベース識別子

PubChem CID: 69309829

物性

構造計算による物性

XLogP: 2.7
極性表面積: 133 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 7
重原子数: 33
形式電荷: 0
複雑度: 761

化合物ノート

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