Name: Celecoxib-d7
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212731412
Cas No:544686-21-7
常用名:Celecoxib-d7
IUPAC:4-{5-[4-(2H3)methyl(2,3,5,6-2H4)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzene-1-sulfonamide
IUPAC:4-{5-[4-(2H3)methyl(2,3,5,6-2H4)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzene-1-sulfonamide
InChI key:RZEKVGVHFLEQIL-AAYPNNLASA-N

分子式:C17H14F3N3O2S
分子量:388.42
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:4.009442
SMILES:[2H]c1c([2H])c(c([2H])c([2H])c1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)C([2H])([2H])[2H]
SMILES:[2H]c1c([2H])c(c([2H])c([2H])c1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)C([2H])([2H])[2H]

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