5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
Compound ID: | D074-0561 |
Compound Name: | 5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
Molecular Weight: | 381.45 |
Molecular Formula: | C20 H19 N3 O3 S |
Smiles: | CSc1ccc(cc1)C1c2c(c3ccccc3O)n[nH]c2C(N1CCO)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7199 |
logD: | 3.7083 |
logSw: | -3.2487 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 73.592 |
InChI Key: | NGYQOPDXNRENGP-LJQANCHMSA-N |