3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-5-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-5-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-5-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D074-0231 |
| Compound Name: | 3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-5-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CC(C)OCCCN1C(c2ccc(cc2)SC)c2c(c3ccccc3O)n[nH]c2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9849 |
| logD: | 4.9733 |
| logSw: | -4.0079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.138 |
| InChI Key: | YMMMPTHVNMKWSW-HSZRJFAPSA-N |