rel-(5R,7S)-N-(4-chlorophenyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(4-chlorophenyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-(4-chlorophenyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 3209-0900 |
| Compound Name: | rel-(5R,7S)-N-(4-chlorophenyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 510.9 |
| Molecular Formula: | C23 H22 Cl F3 N4 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)[C@H]1C[C@@H](C(F)(F)F)n2c(c(cn2)C(Nc2ccc(cc2)[Cl])=O)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6108 |
| logD: | 4.6102 |
| logSw: | -4.8021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.583 |
| InChI Key: | SCBKPAWCPUZCBM-VQIMIIECSA-N |