ChemDiv1_003948
3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_003948|HMS598D10|BAS 01841525|AK-968/15360249|SR-01000437083-1|3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide|3-bromo-N~2~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide|3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide|3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C21H17BrF3N5O2S |
|---|---|
| Molecular Weight | 539.02386 g/mol |
| LogP | 5.96318 |
| Topological Polar Surface Area | 95.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 539.02386 |
| Monoisotopic Mass | 539.02386 |
| Heavy Atoms | 33 |
| Complexity | 1258.4401 |
Chemical Identifiers
| CAS Number | 332856-99-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN4C(CC(NC4=C3Br)C5=CC=CO5)C(F)(F)F)C#N |
Product Overview
ChemDiv1_003948 (CAS 332856-99-2), with molecular formula C21H17BrF3N5O2S and molecular weight 539.02386 g/mol. IUPAC: 3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
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