AC1MOEM7
ethyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: ethyl 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoate|F0648-0222|ethyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate|ethyl 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
| Molecular Formula | C19H21N5O4S |
|---|---|
| Molecular Weight | 415.13144 g/mol |
| LogP | 1.58682 |
| Topological Polar Surface Area | 122.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.13144 |
| Monoisotopic Mass | 415.13144 |
| Heavy Atoms | 29 |
| Complexity | 1105.6184 |
Chemical Identifiers
| CAS Number | 852048-01-2 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC(=C2)C)CC3=CC(=O)NC(=O)N3 |
Product Overview
AC1MOEM7 (CAS 852048-01-2), with molecular formula C19H21N5O4S and molecular weight 415.13144 g/mol. IUPAC: ethyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate.
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