dimethyl 5-{[3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-{[3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 8009-4284 |
| Compound Name: | dimethyl 5-{[3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 666.22 |
| Molecular Formula: | C21 H13 Br2 F3 N4 O6 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2c(c3nc(cc(C(F)(F)F)n3n2)c2ccc(o2)[Br])[Br])=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1767 |
| logD: | 1.77 |
| logSw: | -5.2713 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.873 |
| InChI Key: | ICJRBPKRDLDVSP-UHFFFAOYSA-N |