4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 3-nitrobenzoate
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 3-nitrobenzoate
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3268-0196 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 3-nitrobenzoate |
| Molecular Weight: | 601.62 |
| Molecular Formula: | C34 H27 N5 O6 |
| Smiles: | Cc1c(C(c2ccc(cc2)OC(c2cccc(c2)[N+]([O-])=O)=O)c2c(C)nn(c3ccccc3)c2O)c(n(c2ccccc2)n1)O |
| Stereo: | ACHIRAL |
| logP: | 4.9973 |
| logD: | 4.4085 |
| logSw: | -4.727 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.154 |
| InChI Key: | FZQMHBKIVGZDDW-UHFFFAOYSA-N |