4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 5547-0727 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C23 H22 N4 O5 |
| Smiles: | Cc1c(C(c2ccc(cc2)OC(c2ccc(cc2)OC)=O)c2c(C)n[nH]c2O)c([nH]n1)O |
| Stereo: | ACHIRAL |
| logP: | 2.4632 |
| logD: | 2.2409 |
| logSw: | -2.7899 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.214 |
| InChI Key: | BTSOZOIZNNYIQQ-UHFFFAOYSA-N |