4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-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-(2-methoxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D074-0118 |
| Compound Name: | 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 474.31 |
| Molecular Formula: | C21 H20 Br N3 O5 |
| Smiles: | COCCN1C(c2cc(c(c(c2)[Br])O)OC)c2c(c3ccccc3O)n[nH]c2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5076 |
| logD: | 3.3527 |
| logSw: | -3.329 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.389 |
| InChI Key: | XQDBPKGBFSSDKB-LJQANCHMSA-N |