4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 2-methoxybenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 2-methoxybenzoate
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 2-methoxybenzoate
Compound characteristics
| Compound ID: | 5547-0772 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 2-methoxybenzoate |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C25 H26 N4 O6 |
| Smiles: | CCOc1cc(ccc1OC(c1ccccc1OC)=O)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O |
| Stereo: | ACHIRAL |
| logP: | 2.7043 |
| logD: | 2.482 |
| logSw: | -3.2017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 115.598 |
| InChI Key: | KTLHPMKAIICAPB-UHFFFAOYSA-N |