4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 3-methylbenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 3-methylbenzoate
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | 5547-0734 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 3-methylbenzoate |
| Molecular Weight: | 448.48 |
| Molecular Formula: | C24 H24 N4 O5 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(cc1OC)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O |
| Stereo: | ACHIRAL |
| logP: | 2.7494 |
| logD: | 2.527 |
| logSw: | -3.2081 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.387 |
| InChI Key: | AVKSKZLZMCNNSY-UHFFFAOYSA-N |