ethyl 4-[4-(3-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(3-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
ethyl 4-[4-(3-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
Compound characteristics
| Compound ID: | C390-0437 |
| Compound Name: | ethyl 4-[4-(3-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate |
| Molecular Weight: | 546.42 |
| Molecular Formula: | C28 H24 Br N3 O4 |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2cccc(c2)[Br])c2c(c3ccc(cc3)OCC)n[nH]c2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5042 |
| logD: | 6.5042 |
| logSw: | -5.7055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.404 |
| InChI Key: | YTHMWGGEQAVZGV-AREMUKBSSA-N |