1-(9-Anthrylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione

HCID 15957778

基本情報

標準SMILES: Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2c3ccccc3cc3ccccc23)c1
InChIKey: TZSREDKRLQQHDZ-UHFFFAOYSA-N
分子式: C31H28N2O3
平均分子量: 476.6 g/mol

名称と識別子

優先名称: 1-(9-Anthrylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione
IUPAC: 1-(anthracen-9-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione

名称と別名

SCHEMBL6087400TZSREDKRLQQHDZ-UHFFFAOYSA-N1-(9-anthrylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione1-(Anthracen-9-ylmethyl)-5-isopropyl-6-(3,5-dimethyl-benzoyl)-2,4-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 1-(9-anthracenylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-

データベース識別子

PubChem CID: 15957778

物性

構造計算による物性

XLogP: 6.6
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: 5
重原子数: 36
形式電荷: 0
複雑度: 875