4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-methoxybenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-methoxybenzoate
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-methoxybenzoate
Compound characteristics
| Compound ID: | 5547-0771 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-methoxybenzoate |
| Molecular Weight: | 464.48 |
| Molecular Formula: | C24 H24 N4 O6 |
| Smiles: | Cc1c(C(c2ccc(c(c2)OC)OC(c2ccccc2OC)=O)c2c(C)n[nH]c2O)c([nH]n1)O |
| Stereo: | ACHIRAL |
| logP: | 2.5587 |
| logD: | 2.3364 |
| logSw: | -3.0604 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 116.018 |
| InChI Key: | CUBDTQHQYRLINO-UHFFFAOYSA-N |