3-chloro-5-(4-methylphenyl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-chloro-5-(4-methylphenyl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
3-chloro-5-(4-methylphenyl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 8010-1721 |
| Compound Name: | 3-chloro-5-(4-methylphenyl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 635.91 |
| Molecular Formula: | C28 H16 Cl F6 N5 O4 |
| Smiles: | Cc1ccc(cc1)c1cc(C(F)(F)F)n2c(c(c(C(Nc3cc(cc(c3)Oc3cccc(c3)C(F)(F)F)[N+]([O-])=O)=O)n2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 8.6094 |
| logD: | 8.5878 |
| logSw: | -6.8305 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.935 |
| InChI Key: | XYKTVCXRPQVWOL-UHFFFAOYSA-N |