methyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
methyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-6368 |
| Compound Name: | methyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 559.38 |
| Molecular Formula: | C20 H14 Br F3 N4 O3 S2 |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2c(c3nc(cc(C(F)(F)F)n3n2)c2cccs2)[Br])=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 5.5563 |
| logD: | 1.9298 |
| logSw: | -5.5475 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.792 |
| InChI Key: | GMTSFDMSQLEDTR-UHFFFAOYSA-N |