AC1MRK0H
ethyl 5-benzyl-2-[[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]thiophene-3-carboxylate
Also Known As: ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate|ethyl 5-benzyl-2-({[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)thiophene-3-carboxylate|ethyl 5-benzyl-2-(3-((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)-3-methylthioureido)thiophene-3-carboxylate|ethyl 5-benzyl-2-[[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]thiophene-3-carboxylate
| Molecular Formula | C23H28N4O2S2 |
|---|---|
| Molecular Weight | 456.16537 g/mol |
| LogP | 4.86922 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.16537 |
| Monoisotopic Mass | 456.16537 |
| Heavy Atoms | 31 |
| Complexity | 1043.2863 |
Chemical Identifiers
| CAS Number | 588697-86-3 |
|---|---|
| SMILES | CCN1C(=C(C=N1)CN(C)C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C |
Product Overview
AC1MRK0H (CAS 588697-86-3), with molecular formula C23H28N4O2S2 and molecular weight 456.16537 g/mol. IUPAC: ethyl 5-benzyl-2-[[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]thiophene-3-carboxylate.