ethyl 2-{[rel-(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[rel-(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzoate
ethyl 2-{[rel-(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 3209-0680 |
| Compound Name: | ethyl 2-{[rel-(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 458.44 |
| Molecular Formula: | C23 H21 F3 N4 O3 |
| Smiles: | CCOC(c1ccccc1NC(c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.8377 |
| logD: | 4.7706 |
| logSw: | -4.3603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.661 |
| InChI Key: | QZHVNWDEGFACIQ-RTBURBONSA-N |