4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-fluorobenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-fluorobenzoate
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | 5547-0654 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-fluorobenzoate |
| Molecular Weight: | 452.44 |
| Molecular Formula: | C23 H21 F N4 O5 |
| Smiles: | Cc1c(C(c2ccc(c(c2)OC)OC(c2ccccc2F)=O)c2c(C)n[nH]c2O)c([nH]n1)O |
| Stereo: | ACHIRAL |
| logP: | 2.6524 |
| logD: | 2.4301 |
| logSw: | -3.2606 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.387 |
| InChI Key: | KFQMTCUDCSNISI-UHFFFAOYSA-N |