基本信息
- 标准SMILES
Cc1oc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1CNC(=O)C1CCOC1- InChIKey
ZPJVAIQVKUCRBP-UHFFFAOYSA-N- 分子式
- C21H18Cl3F3N2O4
- 平均分子量
- 525.7 g/mol
名称与标识
- 首选名称
- Tetrahydro-furan-3-carboxylic acid {2-methyl-5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-furan-3-ylmethyl}-amide
- IUPAC
- N-[[2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-yl]methyl]oxolane-3-carboxamide
名称与别名
tetrahydro-furan-3-carboxylic acid {2-methyl-5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-furan-3-ylmethyl}-amide
数据库标识
- PubChem CID
- 86706656
性质
结构计算性质
- XLogP
- 5
- 极性表面积
- 73.1 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 5
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 762
相关反应
1 条
关联笔记
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