4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 2-chlorobenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 2-chlorobenzoate
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | 3268-0020 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 2-chlorobenzoate |
| Molecular Weight: | 635.12 |
| Molecular Formula: | C36 H31 Cl N4 O5 |
| Smiles: | CCOc1cc(ccc1OC(c1ccccc1[Cl])=O)C(c1c(C)nn(c2ccccc2)c1O)c1c(C)nn(c2ccccc2)c1O |
| Stereo: | ACHIRAL |
| logP: | 6.0689 |
| logD: | 5.4802 |
| logSw: | -5.5909 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.07 |
| InChI Key: | FCKFGPVYXXOYCC-UHFFFAOYSA-N |