dimethyl 5-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K061-0799 |
| Compound Name: | dimethyl 5-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 597.37 |
| Molecular Formula: | C23 H16 Br F3 N4 O5 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2cc3nc(cc(C(F)(F)F)n3n2)c2ccc(cc2)[Br])=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6277 |
| logD: | 3.1591 |
| logSw: | -5.6175 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.631 |
| InChI Key: | BNXSKLFCGOGJLZ-UHFFFAOYSA-N |