ethyl 2-{[rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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-{[rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3209-0872 |
| Compound Name: | ethyl 2-{[rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 659.59 |
| Molecular Formula: | C27 H30 Br F3 N4 O3 S2 |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1cccs1)[Br])=O)C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.3454 |
| logD: | 4.1866 |
| logSw: | -5.7268 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.639 |
| InChI Key: | XULDPHYAJIKUSP-HQKHBYFDSA-N |