N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 8010-1725 |
| Compound Name: | N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 628.43 |
| Molecular Formula: | C27 H17 Br F3 N5 O3 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(F)(F)F)n2c(c(cn2)C(Nc2cc(cc(c2)Sc2ccc(cc2)[Br])[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 8.3977 |
| logD: | 8.3958 |
| logSw: | -5.6071 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.369 |
| InChI Key: | JKJUUNMQLWLSDH-UHFFFAOYSA-N |