AC1N60ZC
ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: F0528-1019|ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate|ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate|ethyl 2-((5-(((1s,3s)-adamantane-1-carboxamido)methyl)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)propanoate
CAS: 477299-87-9
| Molecular Formula | C27H36N4O3S |
|---|---|
| Molecular Weight | 496.25082 g/mol |
| LogP | 4.76044 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.25082 |
| Monoisotopic Mass | 496.25082 |
| Heavy Atoms | 35 |
| Complexity | 1092.3406 |
Chemical Identifiers
| CAS Number | 477299-87-9 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC(=C2C)C)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
AC1N60ZC (CAS 477299-87-9), with molecular formula C27H36N4O3S and molecular weight 496.25082 g/mol. IUPAC: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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