Talviraline
propan-2-yl (2S)-7-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate
Molecular Identity
Talviraline
propan-2-yl (2S)-7-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate
PubChem CID: 3000493
2D Structure
Properties
C15H20N2O3S2
Molecular Formula
340.50
Molecular Weight
g/mol
340.0915
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
420
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
TalviralineHBY 097163451-80-7HBY-097HBY097TalviralinaXZ4KT6MO4XIsopropyl (2S)-3,4-dihydro-7-methoxy-2-((methylthio)methyl)-3-thioxo-1(2H)-quinoxalinecarboxylateDTXSID101687011-Methylethyl 7-methoxy-2-((methylthio)methyl)-3-thioxo-3,4-dihydro-1(2H)-quinoxalinecarboxylatetalviralinumpropan-2-yl (2S)-7-methoxy-2-((methylsulfanyl)methyl)-3-sulfanylidene-1,2,3,4-tetrahydroquinoxaline-1-carboxylatepropan-2-yl (2S)-7-methoxy-2-[(methylsulfanyl)methyl]-3-sulfanylidene-1,2,3,4-tetrahydroquinoxaline-1-carboxylateRefChem:891044DTXCID0091192
Data from PubChem (NCBI)
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