AC1NNR9D
N-[[4-(4-bromophenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
Also Known As: F0508-2819|2-{[4-(4-bromophenyl)-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide|N-((4-(4-bromophenyl)-5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-phenylacetamide|N-[[4-(4-bromophenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
| Molecular Formula | C26H24BrN5O3S |
|---|---|
| Molecular Weight | 565.0783 g/mol |
| LogP | 4.6281 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 565.0783 |
| Monoisotopic Mass | 565.0783 |
| Heavy Atoms | 36 |
| Complexity | 1311.9313 |
Chemical Identifiers
| CAS Number | 391949-82-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)CNC(=O)CC4=CC=CC=C4 |
Product Overview
AC1NNR9D (CAS 391949-82-9), with molecular formula C26H24BrN5O3S and molecular weight 565.0783 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide.
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