ethyl 2-{[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-1421 |
| Compound Name: | ethyl 2-{[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 583.38 |
| Molecular Formula: | C23 H18 Br F3 N4 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccco1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6584 |
| logD: | 2.0731 |
| logSw: | -5.3866 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.853 |
| InChI Key: | BJUBLVPGAWTDKS-UHFFFAOYSA-N |