AC1NRLPR
ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: ethyl 2-((5-(((1s,3s)-adamantane-1-carboxamido)methyl)-4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)propanoate|F0528-1234|ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate|ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
| Molecular Formula | C25H31ClN4O3S |
|---|---|
| Molecular Weight | 502.18054 g/mol |
| LogP | 4.797 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.18054 |
| Monoisotopic Mass | 502.18054 |
| Heavy Atoms | 34 |
| Complexity | 1052.5789 |
Chemical Identifiers
| CAS Number | 477302-06-0 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2Cl)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
AC1NRLPR (CAS 477302-06-0), with molecular formula C25H31ClN4O3S and molecular weight 502.18054 g/mol. IUPAC: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate.
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