4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D074-0538 |
| Compound Name: | 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 460.28 |
| Molecular Formula: | C20 H18 Br N3 O5 |
| Smiles: | COc1cc(cc(c1O)[Br])C1c2c(c3ccccc3O)n[nH]c2C(N1CCO)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.942 |
| logD: | 2.7872 |
| logSw: | -3.2371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.702 |
| InChI Key: | RBICRYZQXHLPDT-GOSISDBHSA-N |