N~6~-(2,4-dimethylphenyl)-5-methyl-N~3~-(4-methylphenyl)-7-(3-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
Chemical Structure Depiction of
N~6~-(2,4-dimethylphenyl)-5-methyl-N~3~-(4-methylphenyl)-7-(3-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
N~6~-(2,4-dimethylphenyl)-5-methyl-N~3~-(4-methylphenyl)-7-(3-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
Compound characteristics
Compound ID: | E918-0390 |
Compound Name: | N~6~-(2,4-dimethylphenyl)-5-methyl-N~3~-(4-methylphenyl)-7-(3-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide |
Molecular Weight: | 536.59 |
Molecular Formula: | C30 H28 N6 O4 |
Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)n2c(c(cn2)C(Nc2ccc(C)cc2)=O)N1)C(Nc1ccc(C)cc1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.6914 |
logD: | 5.6901 |
logSw: | -5.259 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 103.03 |
InChI Key: | JNKUVTBJRKWCSH-MHZLTWQESA-N |