ethyl 4-[3-methyl-4-(4-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[3-methyl-4-(4-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
ethyl 4-[3-methyl-4-(4-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
Compound characteristics
| Compound ID: | C390-0445 |
| Compound Name: | ethyl 4-[3-methyl-4-(4-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate |
| Molecular Weight: | 406.4 |
| Molecular Formula: | C21 H18 N4 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2ccc(cc2)[N+]([O-])=O)c2c(C)n[nH]c2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7412 |
| logD: | 3.7412 |
| logSw: | -4.0847 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.74 |
| InChI Key: | ZMGKLTZYUDXTAL-LJQANCHMSA-N |