methyl 4-{3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl}benzoate
methyl 4-{3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl}benzoate
Compound characteristics
| Compound ID: | D174-0499 |
| Compound Name: | methyl 4-{3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl}benzoate |
| Molecular Weight: | 469.5 |
| Molecular Formula: | C27 H23 N3 O5 |
| Smiles: | COC(c1ccc(cc1)C1c2c(c3ccccc3O)n[nH]c2C(N1Cc1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0653 |
| logD: | 5.0537 |
| logSw: | -4.0846 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.404 |
| InChI Key: | SOBRZWOVCMBAFH-VWLOTQADSA-N |