2-(3-chlorophenyl)-4-[(2,6-dimethylanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-4-[(2,6-dimethylanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3-chlorophenyl)-4-[(2,6-dimethylanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8005-3116 |
| Compound Name: | 2-(3-chlorophenyl)-4-[(2,6-dimethylanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 339.82 |
| Molecular Formula: | C19 H18 Cl N3 O |
| Smiles: | CC1/C(=C/Nc2c(C)cccc2C)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2359 |
| logD: | 4.2331 |
| logSw: | -4.4804 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.792 |
| InChI Key: | VRIBZQVGYHUJEB-UHFFFAOYSA-N |