rel-(5R,7S)-3-chloro-N-(3-nitro-5-phenoxyphenyl)-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-chloro-N-(3-nitro-5-phenoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0647 |
| Compound Name: | rel-(5R,7S)-3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 563.94 |
| Molecular Formula: | C24 H17 Cl F3 N5 O4 S |
| Smiles: | C1[C@@H](c2cccs2)Nc2c(c(C(Nc3cc(cc(c3)Oc3ccccc3)[N+]([O-])=O)=O)nn2[C@H]1C(F)(F)F)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.4565 |
| logD: | 6.4482 |
| logSw: | -6.4878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.299 |
| InChI Key: | KFXBECWPPMHJFR-IEBWSBKVSA-N |