4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methoxybenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methoxybenzoate
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methoxybenzoate
Compound characteristics
| Compound ID: | 5547-0770 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methoxybenzoate |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C23 H22 N4 O5 |
| Smiles: | Cc1c(C(c2ccc(cc2)OC(c2ccccc2OC)=O)c2c(C)n[nH]c2O)c([nH]n1)O |
| Stereo: | ACHIRAL |
| logP: | 2.541 |
| logD: | 2.3187 |
| logSw: | -2.9606 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.301 |
| InChI Key: | NMRHRMJLGGSDRW-UHFFFAOYSA-N |