ethyl 4-[3-(4-methoxyphenyl)-4-(3-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[3-(4-methoxyphenyl)-4-(3-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
ethyl 4-[3-(4-methoxyphenyl)-4-(3-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
Compound characteristics
| Compound ID: | C390-0382 |
| Compound Name: | ethyl 4-[3-(4-methoxyphenyl)-4-(3-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate |
| Molecular Weight: | 498.49 |
| Molecular Formula: | C27 H22 N4 O6 |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2cccc(c2)[N+]([O-])=O)c2c(c3ccc(cc3)OC)n[nH]c2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1437 |
| logD: | 5.1437 |
| logSw: | -5.132 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.206 |
| InChI Key: | VDUBUALNVBKPMH-RUZDIDTESA-N |