ethyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-8231 |
| Compound Name: | ethyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 524.59 |
| Molecular Formula: | C27 H26 F2 N4 O3 S |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(c3cnn4c(cc(c5ccccc5)nc34)C(F)F)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2505 |
| logD: | 2.9452 |
| logSw: | -5.4866 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.728 |
| InChI Key: | PZQSWZVUSLECIK-OAHLLOKOSA-N |