ethyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5-(1-hydroxyethyl)-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5-(1-hydroxyethyl)-4-methylthiophene-3-carboxylate
ethyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5-(1-hydroxyethyl)-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3209-0959 |
| Compound Name: | ethyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5-(1-hydroxyethyl)-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 601.44 |
| Molecular Formula: | C24 H24 Br F3 N4 O4 S |
| Smiles: | CCOC(c1c(C)c(C(C)O)sc1NC(c1cc2NC(CC(C(F)(F)F)n2n1)c1ccc(cc1)[Br])=O)=O |
| Stereo: | MIXTURE OF ISOMERS |
| logP: | 5.3066 |
| logD: | 3.0644 |
| logSw: | -5.3699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.416 |
| InChI Key: | CLDDHZNEVFIKLY-UHFFFAOYSA-N |