AC1OJF6V
ethyl 2-[[2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F2563-0186|ethyl 2-(2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|ethyl 2-(2-((5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ethyl 2-[[2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CAS: 896293-00-8
| Molecular Formula | C19H21N5O3S |
|---|---|
| Molecular Weight | 399.1365 g/mol |
| LogP | 2.8609 |
| Topological Polar Surface Area | 91.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.1365 |
| Monoisotopic Mass | 399.1365 |
| Heavy Atoms | 28 |
| Complexity | 952.39716 |
Chemical Identifiers
| CAS Number | 896293-00-8 |
|---|---|
| SMILES | CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OCC |
Product Overview
AC1OJF6V (CAS 896293-00-8), with molecular formula C19H21N5O3S and molecular weight 399.1365 g/mol. IUPAC: ethyl 2-[[2-[(5-ethyl-4-pyrrol-1-yl-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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