ethyl 4-[4-(3-bromophenyl)-3-methyl-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(3-bromophenyl)-3-methyl-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
ethyl 4-[4-(3-bromophenyl)-3-methyl-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
Compound characteristics
| Compound ID: | C390-0469 |
| Compound Name: | ethyl 4-[4-(3-bromophenyl)-3-methyl-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate |
| Molecular Weight: | 440.29 |
| Molecular Formula: | C21 H18 Br N3 O3 |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2cccc(c2)[Br])c2c(C)n[nH]c2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6619 |
| logD: | 4.6619 |
| logSw: | -4.3898 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.359 |
| InChI Key: | FVVTWSRZFZAFRF-LJQANCHMSA-N |