425671-29-0
2-methyl-2-[4-[3-[1-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid
Molecular Identity
425671-29-0
2-methyl-2-[4-[3-[1-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid
PubChem CID: 135449333
2D Structure
Properties
C23H27N3O4
Molecular Formula
409.50
Molecular Weight
g/mol
409.2002
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
91.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
632
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
425671-29-0LY-518674LY518674LY-674Ly 518674U8I57RC739KB-68984Propanoic acid, 2-(4-(3-(2,5-dihydro-1-((4-methylphenyl)methyl)-5-oxo-1H-1,2,4-triazol-3-yl)propyl)phenoxy)-2-methyl-2-methyl-2-(4-(3-(1-((4-methylphenyl)methyl)-5-oxo-2H-1,2,4-triazol-3-yl)propyl)phenoxy)propanoic acid2-methyl-2-[4-[3-[1-[(4-methylphenyl)methyl]-5-oxo-2H-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acidRefChem:1545612-methyl-2-(4-(3-(1-((4-methylphenyl)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)phenoxy)propanoic acidUNII-U8I57RC739CHEMBL4241332-Methyl-2-[4-[3-[1-(4-methylbenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid
Data from PubChem (NCBI)
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