AC1M3NLJ
methyl 4-[[2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: SR-01000265178-1|methyl 4-[({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 4-(2-((4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-[[2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CAS: 693255-45-7
| Molecular Formula | C19H17N5O5S |
|---|---|
| Molecular Weight | 427.09503 g/mol |
| LogP | 2.9077 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.09503 |
| Monoisotopic Mass | 427.09503 |
| Heavy Atoms | 30 |
| Complexity | 1079.6995 |
Chemical Identifiers
| CAS Number | 693255-45-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AC1M3NLJ (CAS 693255-45-7), with molecular formula C19H17N5O5S and molecular weight 427.09503 g/mol. IUPAC: methyl 4-[[2-[[4-methyl-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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