5-methyl-N~3~-(3-methylphenyl)-7-(3-nitrophenyl)-N~6~-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
Chemical Structure Depiction of
5-methyl-N~3~-(3-methylphenyl)-7-(3-nitrophenyl)-N~6~-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
5-methyl-N~3~-(3-methylphenyl)-7-(3-nitrophenyl)-N~6~-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
Compound characteristics
| Compound ID: | E918-0215 |
| Compound Name: | 5-methyl-N~3~-(3-methylphenyl)-7-(3-nitrophenyl)-N~6~-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide |
| Molecular Weight: | 508.54 |
| Molecular Formula: | C28 H24 N6 O4 |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)n2c(c(cn2)C(Nc2cccc(C)c2)=O)N1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7554 |
| logD: | 4.7543 |
| logSw: | -4.4531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.728 |
| InChI Key: | CTNJOPKYAJZXRO-VWLOTQADSA-N |