1-(2-Cyclopent-3-en-1-ylethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione

HCID 474607

基本情報

標準SMILES: CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2CC=CC2)c(=O)[nH]c1=O
InChIKey: TXUZIUVPQOEQIE-UHFFFAOYSA-N
分子式: C22H26N2O3
平均分子量: 366.5 g/mol

名称と識別子

優先名称: 1-(2-Cyclopent-3-en-1-ylethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione
IUPAC: 1-(2-cyclopent-3-en-1-ylethyl)-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione

名称と別名

CHEMBL561923SCHEMBL7070169BDBM504806421-(2-cyclopent-3-en-1-ylethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione1-[2-(Cyclopent-3-en-1-yl)ethyl]-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione

データベース識別子

PubChem CID: 474607
ChEMBL: CHEMBL561923

物性

構造計算による物性

XLogP: 4.1
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: 661