4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 3268-0192 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate |
| Molecular Weight: | 586.65 |
| Molecular Formula: | C35 H30 N4 O5 |
| Smiles: | Cc1c(C(c2ccc(cc2)OC(c2ccc(cc2)OC)=O)c2c(C)nn(c3ccccc3)c2O)c(n(c2ccccc2)n1)O |
| Stereo: | ACHIRAL |
| logP: | 5.154 |
| logD: | 4.5653 |
| logSw: | -5.0715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.316 |
| InChI Key: | PYWGPCRSGZJBJR-UHFFFAOYSA-N |