AC1N58UX
ethyl 2-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/12021009|ethyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C24H20ClF3N4O3S2 |
|---|---|
| Molecular Weight | 568.06177 g/mol |
| LogP | 6.7453 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 568.06177 |
| Monoisotopic Mass | 568.06177 |
| Heavy Atoms | 37 |
| Complexity | 1511.959 |
Chemical Identifiers
| CAS Number | 352679-80-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CS5)C(F)(F)F |
Product Overview
AC1N58UX (CAS 352679-80-2), with molecular formula C24H20ClF3N4O3S2 and molecular weight 568.06177 g/mol. IUPAC: ethyl 2-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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