3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D158-0883 |
| Compound Name: | 3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | Cc1cc(C)c(c(c1)O)c1c2C(c3ccc(cc3)SC)N(CCO)C(c2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2007 |
| logD: | 4.1966 |
| logSw: | -3.9792 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.592 |
| InChI Key: | FJNHYAATGHNCFU-OAQYLSRUSA-N |