4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-tert-butylbenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-tert-butylbenzoate
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | 3268-0013 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-tert-butylbenzoate |
| Molecular Weight: | 612.73 |
| Molecular Formula: | C38 H36 N4 O4 |
| Smiles: | Cc1c(C(c2ccc(cc2)OC(c2ccc(cc2)C(C)(C)C)=O)c2c(C)nn(c3ccccc3)c2O)c(n(c2ccccc2)n1)O |
| Stereo: | ACHIRAL |
| logP: | 6.9661 |
| logD: | 6.3773 |
| logSw: | -5.926 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.773 |
| InChI Key: | JTFJEQHGRYLERN-UHFFFAOYSA-N |