uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846719B2
查看IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1ccc(NCc2c(-c3ccccc3)noc2C)nc1
- InChIKey
- PHOZWHFZYNOXQD-UHFFFAOYSA-N
- 分子式
- C18H17N3O3
- 平均分子量
- 323.3 g/mol
- 单同位素质量
- 323.12699141
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 77.3 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 6
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 414
物化、安全与法规信息正在同步。
ALIASES
名称与别名
1159601-06-5Methyl 6-(((5-methyl-3-phenylisoxazol-4-yl)methyl)amino)nicotinateMETHYL 6-{[(5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)METHYL]AMINO}PYRIDINE-3-CARBOXYLATESCHEMBL2926167CHEMBL3681466PHOZWHFZYNOXQD-UHFFFAOYSA-NBDBM133474DB-095424US8846719, 161Methyl6-(((5-methyl-3-phenylisoxazol-4-yl)methyl)amino)nicotinate6-[(5-Methyl-3-phenyl-isoxazol-4-ylmethyl)-amino]-nicotinic acid methyl ester
REACTIONS
相关反应
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