sodium 3-[4-(dicyanomethylidene)-2-[(1E)-2-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}ethenyl]quinolin-1-yl]propane-1-sulfonate, QM-FN-SO3
HIT218832949
sdf文件结构编辑类似物检索
HIT ID: HIT218832949
Cas No:
分子式: C29H25N4NaO3S2
分子量: 564.65
常用名: sodium 3-[4-(dicyanomethylidene)-2-[(1E)-2-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}ethenyl]quinolin-1-yl]propane-1-sulfonate, QM-FN-SO3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 3-[4-(dicyanomethylidene)-2-[(1E)-2-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}ethenyl]-1,4-dihydroquinolin-1-yl]propane-1-sulfonate
SMILES: [Na+].CN(C)c1ccc(cc1)-c1ccc(\C=C\C2=CC(=C(C#N)C#N)c3ccccc3N2CCCS([O-])(=O)=O)s1
InChI key: WYMGXQAGHDNQOV-UEIGIMKUSA-M
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