ethyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0529 |
| Compound Name: | ethyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 585.42 |
| Molecular Formula: | C22 H16 Br F3 N4 O3 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1cccs1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.986 |
| logD: | 2.3801 |
| logSw: | -5.4675 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.659 |
| InChI Key: | OMGZJZKUOYJWOX-UHFFFAOYSA-N |