AC1MNNQU
methyl 2-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: KS-00003F30|8R-1029|methyl 2-[(4-ethyl-5-{[(6-oxo-1-phenyl-1,6-dihydro-3-pyridazinyl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate|methyl 2-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate|methyl 2-[(4-ethyl-5-{[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate|methyl2-[(4-ethyl-5-{[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C18H19N5O4S |
|---|---|
| Molecular Weight | 401.11578 g/mol |
| LogP | 1.688 |
| Topological Polar Surface Area | 101.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.11578 |
| Monoisotopic Mass | 401.11578 |
| Heavy Atoms | 28 |
| Complexity | 1002.7106 |
Chemical Identifiers
| CAS Number | 439112-34-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)OC)COC2=NN(C(=O)C=C2)C3=CC=CC=C3 |
Product Overview
AC1MNNQU (CAS 439112-34-2), with molecular formula C18H19N5O4S and molecular weight 401.11578 g/mol. IUPAC: methyl 2-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
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