AC1NA6GH
methyl 2-[[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: AK-968/37171047|methyl 2-({[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-[[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-(3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C26H22BrF3N4O4S |
|---|---|
| Molecular Weight | 622.04974 g/mol |
| LogP | 6.5555 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 622.04974 |
| Monoisotopic Mass | 622.04974 |
| Heavy Atoms | 39 |
| Complexity | 1581.0458 |
Chemical Identifiers
| CAS Number | 354545-11-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OC)Br |
Product Overview
AC1NA6GH (CAS 354545-11-2), with molecular formula C26H22BrF3N4O4S and molecular weight 622.04974 g/mol. IUPAC: methyl 2-[[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.