3-(2-hydroxy-5-methylphenyl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-5-[(pyridin-3-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
3-(2-hydroxy-5-methylphenyl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-5-[(pyridin-3-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
3-(2-hydroxy-5-methylphenyl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-5-[(pyridin-3-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D126-0849 |
| Compound Name: | 3-(2-hydroxy-5-methylphenyl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-5-[(pyridin-3-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C27 H24 N4 O3 |
| Smiles: | Cc1ccc(c(c1)c1c2C(c3cccc(c3)OCC=C)N(Cc3cccnc3)C(c2[nH]n1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6594 |
| logD: | 4.655 |
| logSw: | -3.9573 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.622 |
| InChI Key: | QIOOAHHLUGCDBK-SANMLTNESA-N |