2,2,2-Trichloroethyl alpha-[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxoazetidin-1-yl]-alpha-(2-bromo-1-hydroxyethylidene)-acetate
基本情報
- 標準SMILES
O=C(COc1ccccc1)NC1C(=O)N(C(C(=O)OCC(Cl)(Cl)Cl)=C(O)CBr)C1SC(=O)OCC1CC1- InChIKey
OIBZEHROQBIJDF-UHFFFAOYSA-N- 分子式
- C22H22BrCl3N2O8S
- 平均分子量
- 660.7 g/mol
名称と識別子
- 優先名称
- 2,2,2-Trichloroethyl alpha-[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxoazetidin-1-yl]-alpha-(2-bromo-1-hydroxyethylidene)-acetate
- IUPAC
- 2,2,2-trichloroethyl 4-bromo-2-[2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-hydroxybut-2-enoate
名称と別名
SCHEMBL11055709OIBZEHROQBIJDF-UHFFFAOYSA-N2,2,2-trichloroethyl alpha-[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxo-azetidine-1yl]-alpha-(2-bromo-1-hydroxyethylidene)acetate2,2,2-trichloroethyl alpha-[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxoazetidin-1-yl]-alpha-(2-bromo-1-hydroxyethylidene)-acetate2,2,2-trichloroethyl alpha-[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxoazetidine-1-yl]-alpha-(2-bromo-1-hydroxyethylidene)acetate2,2,2-trichloroethyl alpha[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxo-azetidine-1-yl]-alpha-(2-bromo-1-hydroxyethylidene)acetate
データベース識別子
- PubChem CID
- 86735548
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 157 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 9
- 回転可能結合数
- 14
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 909
関連反応
9 件
化合物ノート
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