4-[(4-chloro-2,5-dimethoxyanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4-chloro-2,5-dimethoxyanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[(4-chloro-2,5-dimethoxyanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5588-0063 |
| Compound Name: | 4-[(4-chloro-2,5-dimethoxyanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 371.82 |
| Molecular Formula: | C19 H18 Cl N3 O3 |
| Smiles: | CC1/C(=C/Nc2cc(c(cc2OC)[Cl])OC)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6593 |
| logD: | 3.51 |
| logSw: | -3.9931 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.751 |
| InChI Key: | SQLKUCCSJVDUNM-UHFFFAOYSA-N |