diethyl 5-{[3-bromo-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{[3-bromo-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[3-bromo-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | Y500-5197 |
| Compound Name: | diethyl 5-{[3-bromo-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 704.32 |
| Molecular Formula: | C25 H19 Br2 F3 N4 O5 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)[Br])[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.054 |
| logD: | 3.6473 |
| logSw: | -5.7616 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.107 |
| InChI Key: | GWOKPYFXPABFTC-UHFFFAOYSA-N |