5-(4-ethyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid
Chemical Structure Depiction of
5-(4-ethyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid
5-(4-ethyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 6623-0805 |
| Compound Name: | 5-(4-ethyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid |
| Molecular Weight: | 374.41 |
| Molecular Formula: | C18 H18 N2 O5 S |
| Smiles: | CCc1c(C)nn(c2ccc(c(c2)S(O)(=O)=O)Oc2ccccc2)c1O |
| Stereo: | ACHIRAL |
| logP: | 0.9375 |
| logD: | -13.0354 |
| logSw: | -2.1263 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.336 |
| InChI Key: | ZBDIRISBDAGLNM-UHFFFAOYSA-N |