AC1LAJ44
1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)prop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(1-methylethyl)-1H-1,2,4-triazol-3-yl)-|1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)prop-2-en-1-one|2-Butenoic acid,4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo|(Z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(5-isopropyl-4H-1,2,4-triazol-3-yl)prop-2-en-1-one|1-{5-[(4-Fluorophenyl)methyl]furan-2-yl}-3-hydroxy-3-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]prop-2-en-1-one|2-Propen-1-one, 1-[5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-[5-(1-methylethyl)-1H-1,2,4-triazol-3-yl]-|2-Propen-1-one,1-[5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-[3-(1-methylethyl)-1H-1,2,4-triazol-5-yl]-
| Molecular Formula | C19H18FN3O3 |
|---|---|
| Molecular Weight | 355.1332 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.1332 |
| Monoisotopic Mass | 355.1332 |
| Heavy Atoms | 26 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 280571-91-7 |
|---|---|
| SMILES | CC(C)C1=NC(=NN1)C(=CC(=O)C2=CC=C(O2)CC3=CC=C(C=C3)F)O |
| InChIKey | IKQPNUIHZCLAMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LAJ44 (CAS 280571-91-7), with molecular formula C19H18FN3O3 and molecular weight 355.1332 g/mol. IUPAC: 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)prop-2-en-1-one.
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