AC1M3W2C
2-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methylphenyl)acetamide
Also Known As: 2-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N-(3-chloro-4-methylphenyl)acetamide|2-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methylphenyl)acetamide|2-(5-{[2-(4-bromophenyl)-2-oxoethyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)-N-(3-chloro-4-methylphenyl)acetamide
| Molecular Formula | C20H18BrClN4O2S |
|---|---|
| Molecular Weight | 492.00223 g/mol |
| LogP | 4.69562 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.00223 |
| Monoisotopic Mass | 492.00223 |
| Heavy Atoms | 29 |
| Complexity | 1053.1348 |
Chemical Identifiers
| CAS Number | 714281-72-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br)Cl |
Product Overview
AC1M3W2C (CAS 714281-72-8), with molecular formula C20H18BrClN4O2S and molecular weight 492.00223 g/mol. IUPAC: 2-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methylphenyl)acetamide.
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