AC1N3JG6
ethyl 2-[[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AK-968/37161008|ethyl 2-({[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|ethyl 2-[[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|ethyl 2-(5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C24H17BrClF3N4O3S |
|---|---|
| Molecular Weight | 611.98456 g/mol |
| LogP | 6.8102 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 611.98456 |
| Monoisotopic Mass | 611.98456 |
| Heavy Atoms | 37 |
| Complexity | 1549.8363 |
Chemical Identifiers
| CAS Number | 354544-83-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=C(C=C5)Br)C(F)(F)F |
Product Overview
AC1N3JG6 (CAS 354544-83-5), with molecular formula C24H17BrClF3N4O3S and molecular weight 611.98456 g/mol. IUPAC: ethyl 2-[[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.