4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methylbenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methylbenzoate
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 3268-0193 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methylbenzoate |
| Molecular Weight: | 570.65 |
| Molecular Formula: | C35 H30 N4 O4 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc(cc1)C(c1c(C)nn(c2ccccc2)c1O)c1c(C)nn(c2ccccc2)c1O |
| Stereo: | ACHIRAL |
| logP: | 5.595 |
| logD: | 5.0063 |
| logSw: | -5.6421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.773 |
| InChI Key: | NQVHPQNNMADWPB-UHFFFAOYSA-N |