HIT ID: HIT212711697
Cas No: 1240425-05-1
分子式: C32H30F3N5O7S2
分子量: 717.74
常用名: Alvelestat tosylate
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 1.274735
IUPAC: 4-methylbenzene-1-sulfonic acid; N-[(5-methanesulfonylpyridin-2-yl)methyl]-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
IUPAC: 4-methylbenzene-1-sulfonic acid; N-[(5-methanesulfonylpyridin-2-yl)methyl]-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
SMILES: Cc1ccc(cc1)S(O)(=O)=O.Cc1c(cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)n1-c1cccc(c1)C(F)(F)F)-c1ccnn1C
SMILES: Cc1ccc(cc1)S(O)(=O)=O.Cc1c(cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)n1-c1cccc(c1)C(F)(F)F)-c1ccnn1C
InChI key: YLZZBCWZQPXIHL-UHFFFAOYSA-N
