3-bromo-5-(4-methoxyphenyl)-N-(3-nitro-5-phenoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-bromo-5-(4-methoxyphenyl)-N-(3-nitro-5-phenoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
3-bromo-5-(4-methoxyphenyl)-N-(3-nitro-5-phenoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K061-0151 |
| Compound Name: | 3-bromo-5-(4-methoxyphenyl)-N-(3-nitro-5-phenoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 628.36 |
| Molecular Formula: | C27 H17 Br F3 N5 O5 |
| Smiles: | COc1ccc(cc1)c1cc(C(F)(F)F)n2c(c(c(C(Nc3cc(cc(c3)Oc3ccccc3)[N+]([O-])=O)=O)n2)[Br])n1 |
| Stereo: | ACHIRAL |
| logP: | 7.4521 |
| logD: | 7.4304 |
| logSw: | -5.7107 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.479 |
| InChI Key: | HFLAOTHTBVBUHD-UHFFFAOYSA-N |