2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3584-1037 |
| Compound Name: | 2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OS(c2ccc(C)cc2)(=O)=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5237 |
| logD: | 4.5237 |
| logSw: | -4.4219 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.065 |
| InChI Key: | QEVYTESIZOUBRX-UHFFFAOYSA-N |