Setileuton
4-(4-fluorophenyl)-7-[[[5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one
Molecular Identity
Setileuton
4-(4-fluorophenyl)-7-[[[5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one
PubChem CID: 11856170
2D Structure
Properties
C22H17F4N3O4
Molecular Formula
463.40
Molecular Weight
g/mol
463.1155
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
97.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
744
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C1=NN=C(O1)NCC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=C(C=C4)F)(C(F)(F)F)OIsomeric SMILES
SMILES: CC[C@](C1=NN=C(O1)NCC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=C(C=C4)F)(C(F)(F)F)OSynonyms(20)
SETILEUTON910656-27-8MK-06330U2750935P4-(4-fluorophenyl)-7-(((5-(1-hydroxy-1-(trifluoromethyl)propyl)-1,3,4-oxadiazol-2-yl)amino)methyl)-2H-1-benzopyran-2-onesetileutonumRefChem:9316564-(4-Fluorophenyl)-7-[[[5-[(1S)-1-hydroxy-1-(trifluoromethyl)propyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-2H-1-benzopyran-2-one4-(4-fluorophenyl)-7-[[[5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one2H-1-Benzopyran-2-one, 4-(4-fluorophenyl)-7-(((5-((1S)-1-hydroxy-1-(trifluoromethyl)propyl)-1,3,4-oxadiazol-2-yl)amino)methyl)-Setileuton [USAN]Setileuton [USAN:INN]UNII-0U2750935P4-(4-fluorophenyl)-7-(((5-((1S)-1-hydroxy-1-(trifluoromethyl)propyl)-1,3,4-oxadiazol-2-yl)amino)methyl)-2H-1-benzopyran-2-oneSetileuton free base
Data from PubChem (NCBI)
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