Setileuton tosylate
HIT218852230
sdf文件结构编辑类似物检索
HIT ID: HIT218852230
Cas No: 1137737-87-1
分子式: C29H25F4N3O7S
分子量: 635.59
常用名: Setileuton tosylate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-(4-fluorophenyl)-7-[({5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl}amino)methyl]-2H-chromen-2-one; 4-methylbenzene-1-sulfonic acid
IUPAC: 4-(4-fluorophenyl)-7-[({5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl}amino)methyl]-2H-chromen-2-one; 4-methylbenzene-1-sulfonic acid
SMILES: Cc1ccc(cc1)S(O)(=O)=O.CC[C@](O)(c1nnc(NCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)o1)C(F)(F)F
SMILES: Cc1ccc(cc1)S(O)(=O)=O.CC[C@](O)(c1nnc(NCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)o1)C(F)(F)F
InChI key: NDAZWYKPMVDGGE-BOXHHOBZSA-N
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