5-(2-hydroxyethyl)-3-(2-hydroxy-5-methylphenyl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
5-(2-hydroxyethyl)-3-(2-hydroxy-5-methylphenyl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
5-(2-hydroxyethyl)-3-(2-hydroxy-5-methylphenyl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D126-0033 |
| Compound Name: | 5-(2-hydroxyethyl)-3-(2-hydroxy-5-methylphenyl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C23 H23 N3 O4 |
| Smiles: | Cc1ccc(c(c1)c1c2C(c3cccc(c3)OCC=C)N(CCO)C(c2[nH]n1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.981 |
| logD: | 3.9766 |
| logSw: | -3.6361 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.01 |
| InChI Key: | RFJHRCJQXDTBGM-QFIPXVFZSA-N |