methyl {4-[(benzylamino)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acetate
Chemical Structure Depiction of
methyl {4-[(benzylamino)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acetate
methyl {4-[(benzylamino)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acetate
Compound characteristics
| Compound ID: | Y020-9897 |
| Compound Name: | methyl {4-[(benzylamino)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acetate |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | COC(CC1/C(=C/NCc2ccccc2)C(N(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6777 |
| logD: | 1.6775 |
| logSw: | -1.9317 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.028 |
| InChI Key: | SFYWKTOULYNZKJ-UHFFFAOYSA-N |