Methyl 2-[1-[[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]methyl]cyclopropyl]acetate
基本情報
- 標準SMILES
COC(=O)CC1(Cn2c(C(=O)c3cc(C)cc(C#N)c3)c(C(C)C)c(=O)[nH]c2=O)CC1- InChIKey
XUTGHMPQLCSCQP-UHFFFAOYSA-N- 分子式
- C23H25N3O5
- 平均分子量
- 423.5 g/mol
- 単同位体質量
- 423.17942091
名称と識別子
- 優先名称
- Methyl 2-[1-[[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]methyl]cyclopropyl]acetate
- IUPAC
- methyl 2-[1-[[6-(3-cyano-5-methylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl]cyclopropyl]acetate
名称と別名
SCHEMBL1484484XUTGHMPQLCSCQP-UHFFFAOYSA-N{1-[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-cyclopropyl}-acetic acid methyl esterMethyl (1-{[6-(3-cyano-5-methylbenzoyl)-2,4-dioxo-5-(propan-2-yl)-3,4-dihydropyrimidin-1(2H)-yl]methyl}cyclopropyl)acetatemethyl 2-[1-[[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]methyl]cyclopropyl]acetate
データベース識別子
- PubChem CID
- 25214958
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 117 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 8
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 877
関連反応
4 件
化合物ノート
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