AC1MH6O1
methyl 4-[[2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: SR-01000269463-1|Methyl 4-[[2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|methyl 4-[({[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 4-(2-((4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
CAS: 694484-87-2
| Molecular Formula | C22H24N4O4S |
|---|---|
| Molecular Weight | 440.15182 g/mol |
| LogP | 3.9554 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.15182 |
| Monoisotopic Mass | 440.15182 |
| Heavy Atoms | 31 |
| Complexity | 1021.75 |
Chemical Identifiers
| CAS Number | 694484-87-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C(C)OC3=CC=CC=C3 |
Product Overview
AC1MH6O1 (CAS 694484-87-2), with molecular formula C22H24N4O4S and molecular weight 440.15182 g/mol. IUPAC: methyl 4-[[2-[[4-ethyl-5-(1-phenoxyethyl)-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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