ethyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0838 |
| Compound Name: | ethyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 593.42 |
| Molecular Formula: | C25 H20 Br F3 N4 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cnn2c(cc(c3ccc(cc3)[Br])nc12)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8269 |
| logD: | 3.5216 |
| logSw: | -5.6368 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.728 |
| InChI Key: | KBKGUKLZNGMCGZ-UHFFFAOYSA-N |