1-[2-(Cyclopent-1-en-1-yl)ethyl]-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione

HCID 474606

基本情報

標準SMILES: CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O
InChIKey: QNFAHNYDCZHOBF-UHFFFAOYSA-N
分子式: C22H26N2O3
平均分子量: 366.5 g/mol
単同位体質量: 366.1943427

名称と識別子

優先名称: 1-[2-(Cyclopent-1-en-1-yl)ethyl]-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
IUPAC: 1-[2-(cyclopenten-1-yl)ethyl]-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione

名称と別名

CHEMBL5577101-[2-(Cyclopent-1-en-1-yl)ethyl]-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedioneSCHEMBL7068567QNFAHNYDCZHOBF-UHFFFAOYSA-NBDBM504806581-[2-(cyclopenten-1-yl)ethyl]-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione

データベース識別子

PubChem CID: 474606
ChEMBL: CHEMBL557710

物性

構造計算による物性

XLogP: 3.8
極性表面積: 66.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 27
形式電荷: 0
複雑度: 682