AC1MQA6N
methyl 2-[[4-(2,5-dimethylphenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: F0648-0336|methyl 2-[[4-(2,5-dimethylphenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate|methyl 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate|methyl 2-{[4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
| Molecular Formula | C19H21N5O4S |
|---|---|
| Molecular Weight | 415.13144 g/mol |
| LogP | 1.50514 |
| Topological Polar Surface Area | 122.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.13144 |
| Monoisotopic Mass | 415.13144 |
| Heavy Atoms | 29 |
| Complexity | 1135.6416 |
Chemical Identifiers
| CAS Number | 852048-69-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SC(C)C(=O)OC)CC3=CC(=O)NC(=O)N3 |
Product Overview
AC1MQA6N (CAS 852048-69-2), with molecular formula C19H21N5O4S and molecular weight 415.13144 g/mol. IUPAC: methyl 2-[[4-(2,5-dimethylphenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate.
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