diethyl 5-{[3-bromo-5-(4-methoxyphenyl)-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-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 1890-0393 |
| Compound Name: | diethyl 5-{[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 655.45 |
| Molecular Formula: | C26 H22 Br F3 N4 O6 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)OC)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2025 |
| logD: | 2.7958 |
| logSw: | -5.6011 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.651 |
| InChI Key: | IBYBVLCVOCMVGJ-UHFFFAOYSA-N |