5-(3,4-dimethoxyphenyl)-N-(3-nitro-5-phenoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-N-(3-nitro-5-phenoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(3,4-dimethoxyphenyl)-N-(3-nitro-5-phenoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K061-0327 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-N-(3-nitro-5-phenoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 579.49 |
| Molecular Formula: | C28 H20 F3 N5 O6 |
| Smiles: | COc1ccc(cc1OC)c1cc(C(F)(F)F)n2c(cc(C(Nc3cc(cc(c3)Oc3ccccc3)[N+]([O-])=O)=O)n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.3459 |
| logD: | 6.3434 |
| logSw: | -5.6095 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.879 |
| InChI Key: | WBFYKEKJXVSSFU-UHFFFAOYSA-N |