N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 2123-0306 |
| Compound Name: | N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 654.87 |
| Molecular Formula: | C24 H12 Br Cl F3 N5 O3 S2 |
| Smiles: | c1cc(c2cc(C(F)(F)F)n3c(c(c(C(Nc4cc(cc(c4)Sc4ccc(cc4)[Br])[N+]([O-])=O)=O)n3)[Cl])n2)sc1 |
| Stereo: | ACHIRAL |
| logP: | 8.3283 |
| logD: | 8.3247 |
| logSw: | -6.9321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.934 |
| InChI Key: | KWFZOUZEHAYBQG-UHFFFAOYSA-N |