2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl benzenesulfonate
Chemical Structure Depiction of
2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl benzenesulfonate
2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3584-1038 |
| Compound Name: | 2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl benzenesulfonate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccccc2)ccc1OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0609 |
| logD: | 4.0609 |
| logSw: | -4.0378 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.645 |
| InChI Key: | CUBZUHVRFFZSIJ-UHFFFAOYSA-N |