4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 5547-0656 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate |
| Molecular Weight: | 422.41 |
| Molecular Formula: | C22 H19 F N4 O4 |
| Smiles: | Cc1c(C(c2ccc(cc2)OC(c2ccc(cc2)F)=O)c2c(C)n[nH]c2O)c([nH]n1)O |
| Stereo: | ACHIRAL |
| logP: | 2.5099 |
| logD: | 2.2876 |
| logSw: | -2.8234 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 100.67 |
| InChI Key: | IXQCHUSAKDZYKV-UHFFFAOYSA-N |