AC1M835G
ethyl 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F2649-0038|ethyl 4-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|ethyl 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate|ethyl 4-(2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ethyl 4-[({[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C18H18N6O3S |
|---|---|
| Molecular Weight | 398.11612 g/mol |
| LogP | 1.9614 |
| Topological Polar Surface Area | 125.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.11612 |
| Monoisotopic Mass | 398.11612 |
| Heavy Atoms | 28 |
| Complexity | 959.2121 |
Chemical Identifiers
| CAS Number | 734534-91-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 |
Product Overview
AC1M835G (CAS 734534-91-9), with molecular formula C18H18N6O3S and molecular weight 398.11612 g/mol. IUPAC: ethyl 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
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