ethyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1271 |
| Compound Name: | ethyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 655.56 |
| Molecular Formula: | C27 H26 Br F3 N4 O3 S2 |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1cccs1)[Br])=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.9535 |
| logD: | 4.3682 |
| logSw: | -5.7005 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.293 |
| InChI Key: | OGRIJFRIWMAKBT-CYBMUJFWSA-N |