HIT ID: HIT214314904
Cas No: 149092-50-2
分子式: C19H15N3O3S2
分子量: 397.47
常用名: AG-825
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide
IUPAC: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide
SMILES: COc1cc(C=C(C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O |w:5.4|
SMILES: COc1cc(C=C(C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O |w:5.4|
InChI key: KXDONFLNGBQLTN-UHFFFAOYSA-N