2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3584-1054 |
| Compound Name: | 2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C23 H17 N3 O6 S |
| Smiles: | CC1/C(=C/c2ccccc2OS(c2ccccc2[N+]([O-])=O)(=O)=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7811 |
| logD: | 3.7811 |
| logSw: | -4.0535 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.516 |
| InChI Key: | HTEHMKVROSVSIK-UHFFFAOYSA-N |