ethyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3209-0141 |
| Compound Name: | ethyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 607.45 |
| Molecular Formula: | C26 H22 Br F3 N4 O3 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccccc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.143 |
| logD: | 3.5577 |
| logSw: | -5.6304 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.605 |
| InChI Key: | YYRFCBBHPVBFKY-UHFFFAOYSA-N |