BF 126
HIT214319111
sdf文件结构编辑类似物检索
HIT ID: HIT214319111
Cas No: 666826-27-3
分子式: C26H29N3O3S
分子量: 463.6
常用名: BF 126
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-[2-(1H-1,3-benzodiazol-2-yl)ethenyl]-N,N-diethylaniline; 4-methylbenzene-1-sulfonic acid
IUPAC: 4-[2-(1H-1,3-benzodiazol-2-yl)ethenyl]-N,N-diethylaniline; 4-methylbenzene-1-sulfonic acid
SMILES: Cc1ccc(cc1)S(O)(=O)=O.CCN(CC)c1ccc(C=Cc2nc3ccccc3[nH]2)cc1 |w:21.21|
SMILES: Cc1ccc(cc1)S(O)(=O)=O.CCN(CC)c1ccc(C=Cc2nc3ccccc3[nH]2)cc1 |w:21.21|
InChI key: CCCFPXPTFYRLGJ-UHFFFAOYSA-N
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