rel-(5R,7S)-N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | K610-0373 |
| Compound Name: | rel-(5R,7S)-N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 510.9 |
| Molecular Formula: | C23 H22 Cl F3 N4 O4 |
| Smiles: | COc1ccc(cc1NC(c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)c1ccc(c(c1)OC)OC)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3932 |
| logD: | 4.3746 |
| logSw: | -4.7371 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.799 |
| InChI Key: | AVWCNTIHOORYFI-FOIQADDNSA-N |