4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-chlorobenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-chlorobenzoate
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | 8011-1080 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-chlorobenzoate |
| Molecular Weight: | 468.9 |
| Molecular Formula: | C23 H21 Cl N4 O5 |
| Smiles: | Cc1c(C(c2ccc(c(c2)OC)OC(c2ccccc2[Cl])=O)c2c(C)n[nH]c2O)c([nH]n1)O |
| Stereo: | ACHIRAL |
| logP: | 3.2325 |
| logD: | 3.0102 |
| logSw: | -3.6908 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.387 |
| InChI Key: | UAIKTYLXOQVKFT-UHFFFAOYSA-N |