AC1N3H6E
ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0528-1018|ethyl 2-((5-(((1s,3s)-adamantane-1-carboxamido)methyl)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate|ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate|ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C26H34N4O3S |
|---|---|
| Molecular Weight | 482.23517 g/mol |
| LogP | 4.37194 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.23517 |
| Monoisotopic Mass | 482.23517 |
| Heavy Atoms | 34 |
| Complexity | 1060.4258 |
Chemical Identifiers
| CAS Number | 477299-86-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=CC(=C2C)C)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
AC1N3H6E (CAS 477299-86-8), with molecular formula C26H34N4O3S and molecular weight 482.23517 g/mol. IUPAC: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
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