N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 8010-1307 |
| Compound Name: | N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 708.9 |
| Molecular Formula: | C28 H18 Br Cl F3 N5 O5 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(F)(F)F)n2c(c(c(C(Nc3cc(cc(c3)Sc3ccc(cc3)[Br])[N+]([O-])=O)=O)n2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 8.1848 |
| logD: | 8.1812 |
| logSw: | -6.811 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.176 |
| InChI Key: | MLSPYJOIGUIHIT-UHFFFAOYSA-N |