4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 2-fluorobenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 2-fluorobenzoate
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | 3268-0018 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 2-fluorobenzoate |
| Molecular Weight: | 574.61 |
| Molecular Formula: | C34 H27 F N4 O4 |
| Smiles: | Cc1c(C(c2ccc(cc2)OC(c2ccccc2F)=O)c2c(C)nn(c3ccccc3)c2O)c(n(c2ccccc2)n1)O |
| Stereo: | ACHIRAL |
| logP: | 5.3255 |
| logD: | 4.7367 |
| logSw: | -5.3105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.773 |
| InChI Key: | WUIUEFNNXXXENW-UHFFFAOYSA-N |