5-(4-bromophenyl)-N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(4-bromophenyl)-N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(4-bromophenyl)-N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K061-0802 |
| Compound Name: | 5-(4-bromophenyl)-N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 693.3 |
| Molecular Formula: | C26 H14 Br2 F3 N5 O3 S |
| Smiles: | c1cc(ccc1c1cc(C(F)(F)F)n2c(cc(C(Nc3cc(cc(c3)Sc3ccc(cc3)[Br])[N+]([O-])=O)=O)n2)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 8.943 |
| logD: | 8.9426 |
| logSw: | -6.3494 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.599 |
| InChI Key: | AUHRZPMKZCJAEA-UHFFFAOYSA-N |