4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 2-bromobenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 2-bromobenzoate
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 2-bromobenzoate
Compound characteristics
| Compound ID: | 3268-0015 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 2-bromobenzoate |
| Molecular Weight: | 635.52 |
| Molecular Formula: | C34 H27 Br N4 O4 |
| Smiles: | Cc1c(C(c2ccc(cc2)OC(c2ccccc2[Br])=O)c2c(C)nn(c3ccccc3)c2O)c(n(c2ccccc2)n1)O |
| Stereo: | ACHIRAL |
| logP: | 5.6823 |
| logD: | 5.0936 |
| logSw: | -5.5111 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.773 |
| InChI Key: | QZXNXFZPIOBFPI-UHFFFAOYSA-N |