3-(2-hydroxy-5-methylphenyl)-5-(3-hydroxypropyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
3-(2-hydroxy-5-methylphenyl)-5-(3-hydroxypropyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
3-(2-hydroxy-5-methylphenyl)-5-(3-hydroxypropyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D126-0074 |
| Compound Name: | 3-(2-hydroxy-5-methylphenyl)-5-(3-hydroxypropyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C27 H33 N3 O5 |
| Smiles: | CC(C)CCOc1ccc(cc1OC)C1c2c(c3cc(C)ccc3O)n[nH]c2C(N1CCCO)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9133 |
| logD: | 4.909 |
| logSw: | -4.1697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.727 |
| InChI Key: | KWYWJDLKQKCSAO-SANMLTNESA-N |