AC1M3807
methyl 2-[[2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-[({[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 2-(2-((4-allyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 2-[[2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CAS: 701972-75-0
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14127 g/mol |
| LogP | 3.95692 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.14127 |
| Monoisotopic Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1077.7495 |
Chemical Identifiers
| CAS Number | 701972-75-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
AC1M3807 (CAS 701972-75-0), with molecular formula C22H22N4O3S and molecular weight 422.14127 g/mol. IUPAC: methyl 2-[[2-[[5-(3-methylphenyl)-4-prop-2-enyl-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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