AC1LHONJ
methyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ChemDiv3_008629|IDI1_026539|SR-01000094141-1|BRD-K95333119-001-01-2|F0601-0001|methyl 2-({4-methyl-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate|methyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate|methyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate|methyl 2-((4-methyl-5-((2-phenylacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C15H18N4O3S |
|---|---|
| Molecular Weight | 334.10995 g/mol |
| LogP | 0.9391 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.10995 |
| Monoisotopic Mass | 334.10995 |
| Heavy Atoms | 23 |
| Complexity | 672.61646 |
Chemical Identifiers
| CAS Number | 689746-52-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)CNC(=O)CC2=CC=CC=C2 |
Product Overview
AC1LHONJ (CAS 689746-52-9), with molecular formula C15H18N4O3S and molecular weight 334.10995 g/mol. IUPAC: methyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
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