methyl 4-[5-(4-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(4-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
methyl 4-[5-(4-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Compound characteristics
| Compound ID: | C390-0111 |
| Compound Name: | methyl 4-[5-(4-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate |
| Molecular Weight: | 532.39 |
| Molecular Formula: | C27 H22 Br N3 O4 |
| Smiles: | CCOc1ccc(cc1)c1c2C(c3ccc(cc3)C(=O)OC)N(C(c2[nH]n1)=O)c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9811 |
| logD: | 5.9811 |
| logSw: | -5.6467 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.825 |
| InChI Key: | GXQQGWNGYKOVHQ-RUZDIDTESA-N |