CAS: 147676-70-8
名称: 5-(5-bromo-2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILES:
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)Br)OCC)C分子加工
分子式
C17H19BrN4O2
分子量
391.27
精确质量
390.0691
XLogP
3.44
TPSA
72.8
氢键给体数
1
氢键受体数
4
可旋转键
5
重原子数
24
环数
3
芳香环
3
饱和环
0
脂环
0
立体中心
0
未定义立体
0
形式电荷
0
杂原子数
7
共价单元
1
sp3占比
0.353
摩尔折射率
97.43
补充信息
InChIKey: YXGGLNHCWWWGIF-UHFFFAOYSA-N
同义词
147676-70-85-(5-BROMO-2-ETHOXYPHENYL)-1-METHYL-3-PROPYL-1H-PYRAZOLO[4,3-D]PYRIMIDIN-7(6H)-ONE5-(5-Bromo-2-ethoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-oneSCHEMBL7950877YXGGLNHCWWWGIF-UHFFFAOYSA-NDTXSID901122444MFCD35146243SY333803E876905-(5-bromo-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-pyrimidin-7-one5-(5-bromo-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one5-(5-Bromo-2-ethoxyphenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one5-(5-Bromo-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
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