4-[(3-chloroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(3-chloroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[(3-chloroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-8407 |
| Compound Name: | 4-[(3-chloroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 311.77 |
| Molecular Formula: | C17 H14 Cl N3 O |
| Smiles: | CC1\C(=C/Nc2cccc(c2)[Cl])C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7831 |
| logD: | 3.7819 |
| logSw: | -4.0926 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.188 |
| InChI Key: | YBTMJDLMKIJCCC-UHFFFAOYSA-N |