rel-(5R,7S)-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)-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)-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: | 3209-0492 |
| Compound Name: | rel-(5R,7S)-N-(3-nitro-5-phenoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 529.5 |
| Molecular Formula: | C24 H18 F3 N5 O4 S |
| Smiles: | C1[C@@H](c2cccs2)Nc2cc(C(Nc3cc(cc(c3)Oc3ccccc3)[N+]([O-])=O)=O)nn2[C@H]1C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.9396 |
| logD: | 5.9386 |
| logSw: | -5.9172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.005 |
| InChI Key: | SSLADMRIBCDDLP-RXVVDRJESA-N |