N~6~-(2,4-dimethylphenyl)-N~3~-(4-fluorophenyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
Chemical Structure Depiction of
N~6~-(2,4-dimethylphenyl)-N~3~-(4-fluorophenyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
N~6~-(2,4-dimethylphenyl)-N~3~-(4-fluorophenyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
Compound characteristics
| Compound ID: | E918-0491 |
| Compound Name: | N~6~-(2,4-dimethylphenyl)-N~3~-(4-fluorophenyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide |
| Molecular Weight: | 540.55 |
| Molecular Formula: | C29 H25 F N6 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)n2c(c(cn2)C(Nc2ccc(cc2)F)=O)N1)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3504 |
| logD: | 5.349 |
| logSw: | -5.2203 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.03 |
| InChI Key: | PUKNPAIYJMMTGC-SANMLTNESA-N |