S-1360
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
Molecular Identity
S-1360
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
PubChem CID: 6451047
2D Structure
Properties
C16H12FN3O3
Molecular Formula
313.28
Molecular Weight
g/mol
313.0863
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
92
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
452
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1CC2=CC=C(O2)C(=O)C=C(C3=NC=NN3)O)FIsomeric SMILES
SMILES: C1=CC(=CC=C1CC2=CC=C(O2)C(=O)/C=C(/C3=NC=NN3)\O)FSynonyms(20)
S-1360280571-30-4S 1360GW810781GSK-S-1360W7KQU075CVGW-810781RefChem:180592S1360 cpd1-(5-(4-Fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)propene(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-oneUNII-W7KQU075CVCHEMBL3680842-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-1-[5-(4-Fluorobenzyl)furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)propene
Data from PubChem (NCBI)
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