基本情報
- 標準SMILES
CCOC(=O)c1cn(CC)c2nc(Cl)ncc2c1=O- InChIKey
LEWUPUAACFPTCF-UHFFFAOYSA-N- 分子式
- C12H12ClN3O3
- 平均分子量
- 281.69 g/mol
名称と識別子
- 優先名称
- 2-Chloro-5-oxo-6-carbethoxy-8-ethyl-5,8-dihydropyrido(2,3-d)pyrimidine
- IUPAC
- ethyl 2-chloro-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
名称と別名
SCHEMBL11582004LEWUPUAACFPTCF-UHFFFAOYSA-NPipemidic Acid Trihydrate EP Impurity D2-chloro-5-oxo-6-carbethoxy-8-ethyl-5,8 -dihydro-pyrido(2,3-d)pyrimidine2-chloro-5-oxo-6-carbethoxy-8-ethyl-5,8-dihydro-pyrido(2,3 -d)pyrimidine2-chloro-5-oxo-6-carbethoxy-8-ethyl-5,8-dihydro-pyrido(2,3-d)-pyrimidine2-chloro-5-oxo-6-carbethoxy-8-ethyl-5,8-dihydro-pyrido(2,3-d)pyrimidine2-chloro-5-oxo-6-carbethoxy-8-ethyl-5,8-dihydro-pyrido-(2,3-d)pyrimidine2-chloro-5-oxo-6-carbethoxy-8-ethyl-5,8-dihydropyrido(2,3-d)pyrimidineethyl 2-chloro-5,8-dihydro-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylateethyl 2-chloro-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
データベース識別子
- PubChem CID
- 12266805
物性
構造計算による物性
- XLogP
- 1.4
- 極性表面積
- 72.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 413
関連反応
24 件
化合物ノート
読み込み中…