4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D074-0335 |
| Compound Name: | 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 474.31 |
| Molecular Formula: | C21 H20 Br N3 O5 |
| Smiles: | COc1cc(cc(c1O)[Br])C1c2c(c3ccccc3O)n[nH]c2C(N1CCCO)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0186 |
| logD: | 2.8637 |
| logSw: | -3.2151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.702 |
| InChI Key: | CZNPKJYLNOONJI-LJQANCHMSA-N |