methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate
methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 8002-6910 |
| Compound Name: | methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C29 H26 N4 O4 |
| Smiles: | Cc1c(C(c2ccc(cc2)C(=O)OC)c2c(C)nn(c3ccccc3)c2O)c(n(c2ccccc2)n1)O |
| Stereo: | ACHIRAL |
| logP: | 4.1629 |
| logD: | 3.5742 |
| logSw: | -4.2598 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.569 |
| InChI Key: | GNHDTFUZAQFIQB-UHFFFAOYSA-N |