AC1M1ZME
ethyl 2-[[4-(4-ethoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: SR-01000907225-1|F0601-0105|ethyl 2-{[4-(4-ethoxyphenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|ethyl 2-((4-(4-ethoxyphenyl)-5-((3-methylbenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate|ethyl 2-[[4-(4-ethoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C23H26N4O4S |
|---|---|
| Molecular Weight | 454.16748 g/mol |
| LogP | 3.55962 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 454.16748 |
| Monoisotopic Mass | 454.16748 |
| Heavy Atoms | 32 |
| Complexity | 1066.1133 |
Chemical Identifiers
| CAS Number | 689751-63-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCC)CNC(=O)C3=CC=CC(=C3)C |
Product Overview
AC1M1ZME (CAS 689751-63-1), with molecular formula C23H26N4O4S and molecular weight 454.16748 g/mol. IUPAC: ethyl 2-[[4-(4-ethoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
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