AC1LL7H9
2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02223434|AG-690/40698385|2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|2-((5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide|2-(5-Phenoxymethyl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide|2-[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetamide|2-({4-(4-methylphenyl)-5-[(phenyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide|2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.11505 g/mol |
| LogP | 2.73212 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.11505 |
| Monoisotopic Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 847.27246 |
Chemical Identifiers
| CAS Number | 333322-48-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)COC3=CC=CC=C3 |
Product Overview
AC1LL7H9 (CAS 333322-48-8), with molecular formula C18H18N4O2S and molecular weight 354.11505 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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