4-(3-bromo-4-hydroxy-5-methoxyphenyl)-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-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D158-0469 |
| Compound Name: | 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 488.34 |
| Molecular Formula: | C22 H22 Br N3 O5 |
| Smiles: | Cc1cc(C)c(c(c1)O)c1c2C(c3cc(c(c(c3)[Br])O)OC)N(CCO)C(c2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4229 |
| logD: | 3.268 |
| logSw: | -3.279 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.702 |
| InChI Key: | FWPPEGUUNLRGKJ-HXUWFJFHSA-N |