AC1NQMAX
N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide
Also Known As: Oprea1_114497|F0475-0256|N-((4-(4-bromophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-3,4-dimethoxybenzamide|N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide|N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide|N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide
| Molecular Formula | C18H17BrN4O3S |
|---|---|
| Molecular Weight | 448.02048 g/mol |
| LogP | 3.63959 |
| Topological Polar Surface Area | 81.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.02048 |
| Monoisotopic Mass | 448.02048 |
| Heavy Atoms | 27 |
| Complexity | 1014.19135 |
Chemical Identifiers
| CAS Number | 391887-58-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br)OC |
Product Overview
AC1NQMAX (CAS 391887-58-4), with molecular formula C18H17BrN4O3S and molecular weight 448.02048 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide.
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