AC1LLJR7 structure

AC1LLJR7

dimethyl 5-[[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate

Also Known As: BAS 00924332|NCGC00137884-01|AK-968/12021036|SR-01000551132-1|K061-0799|dimethyl 5-({[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate|dimethyl 5-[[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate|2,4-DIMETHYL 5-[5-(4-BROMOPHENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-AMIDO]-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE|dimethyl 5-(5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate

CAS: 333763-69-2
Molecular Formula C23H16BrF3N4O5S
Molecular Weight 595.9977 g/mol
LogP 5.37302
Topological Polar Surface Area 111.89 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 5
Exact Mass 595.9977
Monoisotopic Mass 595.9977
Heavy Atoms 37
Complexity 1546.7336

Chemical Identifiers

CAS Number 333763-69-2
SMILES CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)Br)C(F)(F)F)C(=O)OC

Product Overview

AC1LLJR7 (CAS 333763-69-2), with molecular formula C23H16BrF3N4O5S and molecular weight 595.9977 g/mol. IUPAC: dimethyl 5-[[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate.

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