rel-(5R,7S)-3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0551 |
| Compound Name: | rel-(5R,7S)-3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 565.79 |
| Molecular Formula: | C20 H17 Br Cl F3 N4 O3 S |
| Smiles: | COc1cc(c(cc1NC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1cccs1)[Br])=O)OC)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.1565 |
| logD: | 4.8868 |
| logSw: | -5.6731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.733 |
| InChI Key: | IGGGTENAHHYUJW-IAQYHMDHSA-N |