![Methyl 4-[2-(4-amino-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate structure](/static/products/7288/728890-75-3.webp)
Methyl 4-[2-(4-amino-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate
methyl 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F2649-0039|methyl 4-(2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|methyl 4-[2-(4-amino-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate|methyl 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate|methyl 4-[({[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C17H16N6O3S |
|---|---|
| Molecular Weight | 384.10046 g/mol |
| LogP | 1.5713 |
| Topological Polar Surface Area | 125.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.10046 |
| Monoisotopic Mass | 384.10046 |
| Heavy Atoms | 27 |
| Complexity | 943.06244 |
Chemical Identifiers
| CAS Number | 728890-75-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 |
Product Overview
Methyl 4-[2-(4-amino-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate (CAS 728890-75-3), with molecular formula C17H16N6O3S and molecular weight 384.10046 g/mol. IUPAC: methyl 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.