4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-8693 |
| Compound Name: | 4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C21 H23 N3 O |
| Smiles: | CC1\C(=C/Nc2c(C)cccc2C)C(N(c2ccc(C)c(C)c2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7289 |
| logD: | 4.7254 |
| logSw: | -4.5591 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.792 |
| InChI Key: | QZXHFBUQPPOGQA-UHFFFAOYSA-N |