基本信息
- 标准SMILES
COCC(=O)Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1- InChIKey
BXRZESMMJXJJMC-UHFFFAOYSA-N- 分子式
- C42H38N6O3
- 平均分子量
- 674.8 g/mol
- 单同位素质量
- 674.3005391
名称与标识
- 首选名称
- 2-Methoxy-N-(3-{1-perhydro-2H-pyran-2-yl-5[-1-(triphenylmethyl)(1,2,4-triazol-3yl)]-(1H-indazol-3-yl)}phenyl)acetamide
- IUPAC
- 2-methoxy-N-[3-[1-(oxan-2-yl)-5-(1-trityl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]acetamide
名称与别名
SCHEMBL5391965BXRZESMMJXJJMC-UHFFFAOYSA-N2-methoxy-N-(3-{1-perhydro-2H -pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1H-indazol-3-yl)}phenyl)acetamide2-methoxy-n-(3-{1-perhydro-2h-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1 h-indazol-3-yl)}phenyl)acetamide2-methoxy-N-(3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1H-indazol-3-yl)}phenyl)acetamide2-methoxy-N-(3-{1-perhydro-2H-pyran-2-yl-5[-1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1H-indazol-3-yl)}phenyl)acetamide2-methoxy-n-(3-{1-perhydro-2h-pyran-2-yl-5[-1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-(1h-indazol-3-yl)}phenyl)acetamide2-Methoxy-N-(3-{1-perhydro-2H-pyran-2-yl-5[-1-(triphenylmethyl)(1,2,4-triazol-3yl)]-(1H-indazol-3-yl)}phenyl)acetamide
数据库标识
- PubChem CID
- 22480098
性质
结构计算性质
- XLogP
- 7.6
- 极性表面积
- 96.1 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 10
- 重原子
- 51
- 形式电荷
- 0
- 复杂度
- 1,060
相关反应
9 条
化合物笔记
加载中…