AC1LAJ3Y
1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-[5-(methoxymethyl)-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-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-|(Z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]prop-2-en-1-one|1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]prop-2-en-1-one|1-{5-[(4-FLUOROPHENYL)METHYL]FURAN-2-YL}-3-HYDROXY-3-[5-(METHOXYMETHYL)-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-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-|2-Propen-1-one,1-[5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]-
| Molecular Formula | C18H16FN3O4 |
|---|---|
| Molecular Weight | 357.1125 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.1125 |
| Monoisotopic Mass | 357.1125 |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 280571-89-3 |
|---|---|
| SMILES | COCC1=NC(=NN1)C(=CC(=O)C2=CC=C(O2)CC3=CC=C(C=C3)F)O |
| InChIKey | VJMCJYDVPBMENA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LAJ3Y (CAS 280571-89-3), with molecular formula C18H16FN3O4 and molecular weight 357.1125 g/mol. IUPAC: 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]prop-2-en-1-one.
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