methyl 4-{3-(2-hydroxyphenyl)-6-oxo-5-[(pyridin-3-yl)methyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-(2-hydroxyphenyl)-6-oxo-5-[(pyridin-3-yl)methyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl}benzoate
methyl 4-{3-(2-hydroxyphenyl)-6-oxo-5-[(pyridin-3-yl)methyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl}benzoate
Compound characteristics
| Compound ID: | D174-0531 |
| Compound Name: | methyl 4-{3-(2-hydroxyphenyl)-6-oxo-5-[(pyridin-3-yl)methyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl}benzoate |
| Molecular Weight: | 440.46 |
| Molecular Formula: | C25 H20 N4 O4 |
| Smiles: | COC(c1ccc(cc1)C1c2c(c3ccccc3O)n[nH]c2C(N1Cc1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7698 |
| logD: | 3.7582 |
| logSw: | -2.9704 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.378 |
| InChI Key: | JULGHYQWDPICJG-QHCPKHFHSA-N |