ethyl 4-[rel-(5R,7S)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[rel-(5R,7S)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
ethyl 4-[rel-(5R,7S)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K610-0388 |
| Compound Name: | ethyl 4-[rel-(5R,7S)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate |
| Molecular Weight: | 511.5 |
| Molecular Formula: | C23 H28 F3 N5 O5 |
| Smiles: | CCOC(N1CCN(CC1)C(c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7023 |
| logD: | 2.7023 |
| logSw: | -3.0051 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.203 |
| InChI Key: | RDSLHHKXYCXTCA-VQIMIIECSA-N |