AC1NF31O
N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide
Also Known As: F0721-0435|N-((5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-2-methyl-3-nitrobenzamide|N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide|N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide
| Molecular Formula | C26H24N6O5S |
|---|---|
| Molecular Weight | 532.1529 g/mol |
| LogP | 4.15332 |
| Topological Polar Surface Area | 141.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 532.1529 |
| Monoisotopic Mass | 532.1529 |
| Heavy Atoms | 38 |
| Complexity | 1456.9974 |
Chemical Identifiers
| CAS Number | 393872-47-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)OC |
Product Overview
AC1NF31O (CAS 393872-47-4), with molecular formula C26H24N6O5S and molecular weight 532.1529 g/mol. IUPAC: N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide.
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