AC1NA6Y9
ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: Oprea1_417374|F0528-1621|ethyl 2-((5-(((1s,3s)-adamantane-1-carboxamido)methyl)-4-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)propanoate|ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate|ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
| Molecular Formula | C25H31FN4O3S |
|---|---|
| Molecular Weight | 486.21008 g/mol |
| LogP | 4.2827 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.21008 |
| Monoisotopic Mass | 486.21008 |
| Heavy Atoms | 34 |
| Complexity | 1052.5789 |
Chemical Identifiers
| CAS Number | 476439-72-2 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(N1C2=CC(=CC=C2)F)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
AC1NA6Y9 (CAS 476439-72-2), with molecular formula C25H31FN4O3S and molecular weight 486.21008 g/mol. IUPAC: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate.
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