Molecular Identity
Fexinidazole
1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole
PubChem CID: 68792
2D Structure
Properties
C12H13N3O3S
Molecular Formula
279.32
Molecular Weight
g/mol
279.0678
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
98.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
305
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=CN=C1COC2=CC=C(C=C2)SC)[N+](=O)[O-]Isomeric SMILES
SMILES: CN1C(=CN=C1COC2=CC=C(C=C2)SC)[N+](=O)[O-]Synonyms(20)
Fexinidazole59729-37-2FexinidazolHoe-239Fexinidazolum306ERL82IRDTXSID002084481-methyl-2-{[4-(methylsulfanyl)phenoxy]methyl}-5-nitro-1H-imidazole1-methyl-2-((4-(methylsulfanyl)phenoxy)methyl)-5-nitro-1H-imidazoleRefChem:57837DTXCID20130939P01CA031-Methyl-2-((4-(methylthio)phenoxy)methyl)-5-nitro-1H-imidazoleMFCD008666071-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Fexinidazole
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