AC1MGTXK
N-[1-[4-ethyl-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide
Also Known As: N-{1-[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide|N-[1-[4-ethyl-5-(phenethylcarbamoylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide|N-[1-[4-ethyl-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide|N-[1-[4-ethyl-5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide
| Molecular Formula | C25H31N5O2S |
|---|---|
| Molecular Weight | 465.21985 g/mol |
| LogP | 3.8761 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 465.21985 |
| Monoisotopic Mass | 465.21985 |
| Heavy Atoms | 33 |
| Complexity | 1037.4656 |
Chemical Identifiers
| CAS Number | 693233-03-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C(C(C)C)NC(=O)C3=CC=CC=C3 |
Product Overview
AC1MGTXK (CAS 693233-03-3), with molecular formula C25H31N5O2S and molecular weight 465.21985 g/mol. IUPAC: N-[1-[4-ethyl-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide.
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