AC1O69GE
methyl 2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: methyl 2-(2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate|methyl 2-[({[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate|methyl 2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate|methyl 2-[2-(4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]thiophen e-3-carboxylate
| Molecular Formula | C17H17N5O3S2 |
|---|---|
| Molecular Weight | 403.07727 g/mol |
| LogP | 2.9389 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.07727 |
| Monoisotopic Mass | 403.07727 |
| Heavy Atoms | 27 |
| Complexity | 939.2093 |
Chemical Identifiers
| CAS Number | 901644-56-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)OC)C3=CC=NC=C3 |
Product Overview
AC1O69GE (CAS 901644-56-2), with molecular formula C17H17N5O3S2 and molecular weight 403.07727 g/mol. IUPAC: methyl 2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
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