AC1M1CVY
N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide
Also Known As: Oprea1_548844|SR-01000442462-1|F0475-0286|N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide|N-((4-(4-bromophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-3,4,5-triethoxybenzamide|N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide|N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxy-benzamide
| Molecular Formula | C22H25BrN4O4S |
|---|---|
| Molecular Weight | 520.078 g/mol |
| LogP | 4.81849 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 520.078 |
| Monoisotopic Mass | 520.078 |
| Heavy Atoms | 32 |
| Complexity | 1100.6997 |
Chemical Identifiers
| CAS Number | 391887-74-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br |
Product Overview
AC1M1CVY (CAS 391887-74-4), with molecular formula C22H25BrN4O4S and molecular weight 520.078 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide.
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