HIT ID: HIT212710308
Cas No: 202409-40-3
分子式: C18H16Cl2N2O2S
分子量: 395.3
常用名: Etoricoxib HCl
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 2.7939253
IUPAC: 5-chloro-3-(4-methanesulfonylphenyl)-6'-methyl-2,3'-bipyridine hydrochloride
IUPAC: 5-chloro-3-(4-methanesulfonylphenyl)-6'-methyl-2,3'-bipyridine hydrochloride
SMILES: Cl.Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
SMILES: Cl.Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
InChI key: NNGHGPAKTWAHHB-UHFFFAOYSA-N