102676-86-8 ((4-(5S)-5H,6H,7H,8H-imidazo1,5-apyridin-5-ylbenzonitrile)

快速询单

结构式：

4-(5S)-5H,6H,7H,8H-imidazo1,5-apyridin-5-ylbenzonitrileMOL文件

CAS号：

102676-86-8

英文名称：

4-(5S)-5H,6H,7H,8H-imidazo1,5-apyridin-5-ylbenzonitrile

分子式：

C₁₄H₁₃N₃

分子量：

223.273122549057

4-(5S)-5H,6H,7H,8H-imidazo1,5-apyridin-5-ylbenzonitrile(102676-86-8)名称与标识符

名称

英文别名：

Benzonitrile, 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]-;4-(5S)-5H,6H,7H,8H-imidazo1,5-apyridin-5-ylbenzonitrile;Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, (S)-;4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile;S-FADROZOLE;BDBM9920;SCHEMBL13449014;CHEMBL31215;4-[(5S)-5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl]benzonitrile;EN300-27115399;DTXSID201317476;102676-86-8;(-)-Fadrozole;Fadrozole, (S)-;UNII-K9H9854X63;K9H9854X63;(S)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;(S)Fadrozole;

标识符

InChIKey：

CLPFFLWZZBQMAO-AWEZNQCLSA-N

Inchi：

1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1

SMILES：

N12C=NC=C1CCC[C@H]2C1C=CC(C#N)=CC=1

4-(5S)-5H,6H,7H,8H-imidazo1,5-apyridin-5-ylbenzonitrile(102676-86-8)物化性质

实验特性

PSA : 41.61

计算特性

精确分子量 : 223.11109
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 223.110947427g/mol
重原子数量 : 17
复杂度 : 311
同位素原子数量 : 0
确定原子立构中心数量 : 1
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.1
拓扑分子极性表面积 : 41.6Å²

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