ethyl 2-{[3-bromo-5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5202 |
| Compound Name: | ethyl 2-{[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 609.42 |
| Molecular Formula: | C25 H20 Br F3 N4 O4 S |
| Smiles: | CCOC(c1c2CCCc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)OC)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3243 |
| logD: | 2.7183 |
| logSw: | -5.5405 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.184 |
| InChI Key: | VGCQYYUMRAEOCH-UHFFFAOYSA-N |