2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3584-1788 |
| Compound Name: | 2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate |
| Molecular Weight: | 507.52 |
| Molecular Formula: | C25 H21 N3 O7 S |
| Smiles: | CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccccc2)ccc1OS(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7641 |
| logD: | 3.7641 |
| logSw: | -3.9887 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 101.726 |
| InChI Key: | YIYLEARUNQDCIC-UHFFFAOYSA-N |