AC1MJRTL
ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
Also Known As: Oprea1_605014|BAS 00279427|Ethyl 1-acetyl-6-(2-fluorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-thioxo-5-pyrimidinecarboxylate|ethyl 1-acetyl-6-(2-fluorophenyl)-4-methyl-2-thioxo-1,3,6-trihydropyrimidine-5 -carboxylate|Ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate|ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H17FN2O3S |
|---|---|
| Molecular Weight | 336.0944 g/mol |
| LogP | 2.4405 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.0944 |
| Monoisotopic Mass | 336.0944 |
| Heavy Atoms | 23 |
| Complexity | 702.3207 |
Chemical Identifiers
| CAS Number | 313391-67-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2F)C(=O)C)C |
Product Overview
AC1MJRTL (CAS 313391-67-2), with molecular formula C16H17FN2O3S and molecular weight 336.0944 g/mol. IUPAC: ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate.
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