AC1N4MHV
ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0528-0863|ethyl 2-((5-((4-methoxybenzamido)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate|ethyl 2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate|ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate|ethyl {5-[(p-anisoylamino)methyl]-4-[m-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylthio}acetate
| Molecular Formula | C22H21F3N4O4S |
|---|---|
| Molecular Weight | 494.12357 g/mol |
| LogP | 3.8799 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.12357 |
| Monoisotopic Mass | 494.12357 |
| Heavy Atoms | 34 |
| Complexity | 1149.7966 |
Chemical Identifiers
| CAS Number | 476451-44-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
AC1N4MHV (CAS 476451-44-2), with molecular formula C22H21F3N4O4S and molecular weight 494.12357 g/mol. IUPAC: ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
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