2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl benzenesulfonate
Chemical Structure Depiction of
2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl benzenesulfonate
2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 8003-4662 |
| Compound Name: | 2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl benzenesulfonate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C23 H18 N2 O4 S |
| Smiles: | CC1/C(=C/c2ccccc2OS(c2ccccc2)(=O)=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0779 |
| logD: | 4.0779 |
| logSw: | -4.3068 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.435 |
| InChI Key: | OLFAKKHIXDORCS-UHFFFAOYSA-N |