4-(3-bromophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
4-(3-bromophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
4-(3-bromophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D158-0055 |
| Compound Name: | 4-(3-bromophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C21 H20 Br N3 O3 |
| Smiles: | Cc1cc(C)c(c(c1)O)c1c2C(c3cccc(c3)[Br])N(CCO)C(c2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3277 |
| logD: | 4.3235 |
| logSw: | -4.0209 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.592 |
| InChI Key: | MEOXIEMCXLZSMT-HXUWFJFHSA-N |