Ethyl 2-{3-[2-(2-heptyl-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylamino)-ethyl]-phenoxy}-2-methyl-propionate
基本信息
- 标准SMILES
CCCCCCCn1nc(NCCc2cccc(OC(C)(C)C(=O)OCC)c2)c(=O)n(C)c1=O- InChIKey
NOJMHFASRURCAK-UHFFFAOYSA-N- 分子式
- C25H38N4O5
- 平均分子量
- 474.6 g/mol
- 单同位素质量
- 474.28422033
名称与标识
- 首选名称
- Ethyl 2-{3-[2-(2-heptyl-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylamino)-ethyl]-phenoxy}-2-methyl-propionate
- IUPAC
- ethyl 2-[3-[2-[(2-heptyl-4-methyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]phenoxy]-2-methylpropanoate
名称与别名
SCHEMBL3288346NOJMHFASRURCAK-UHFFFAOYSA-NEthyl 2-{3-[2-(2-heptyl-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylamino)-ethyl]-phenoxy}-2-methyl-propionate
数据库标识
- PubChem CID
- 11856485
性质
结构计算性质
- XLogP
- 5
- 极性表面积
- 101 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 15
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 724
相关反应
2 条
化合物笔记
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