AC1M3KZL
methyl 2-[[2-[[4-benzyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-[({[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 2-(2-((4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 2-[[2-[[4-benzyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CAS: 692775-86-3
| Molecular Formula | C25H21N5O5S |
|---|---|
| Molecular Weight | 503.12634 g/mol |
| LogP | 4.419 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.12634 |
| Monoisotopic Mass | 503.12634 |
| Heavy Atoms | 36 |
| Complexity | 1389.7375 |
Chemical Identifiers
| CAS Number | 692775-86-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AC1M3KZL (CAS 692775-86-3), with molecular formula C25H21N5O5S and molecular weight 503.12634 g/mol. IUPAC: methyl 2-[[2-[[4-benzyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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