ethyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-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}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0850 |
| Compound Name: | ethyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 607.45 |
| Molecular Formula: | C26 H22 Br F3 N4 O3 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1cnn2c(cc(c3ccc(cc3)[Br])nc12)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2609 |
| logD: | 3.9555 |
| logSw: | -5.7087 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.728 |
| InChI Key: | WOQCKKGWXGTSAM-CYBMUJFWSA-N |