5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D126-0779 |
| Compound Name: | 5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 515.57 |
| Molecular Formula: | C29 H29 N3 O6 |
| Smiles: | Cc1ccc(c(c1)c1c2C(c3ccc(c(c3)OC)O)N(CCc3ccc(c(c3)OC)OC)C(c2[nH]n1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6325 |
| logD: | 4.6219 |
| logSw: | -4.0491 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.104 |
| InChI Key: | NXGFJMKYPSNROM-NDEPHWFRSA-N |