4-[(benzylamino)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(benzylamino)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-[(benzylamino)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8005-3232 |
| Compound Name: | 4-[(benzylamino)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 325.8 |
| Molecular Formula: | C18 H16 Cl N3 O |
| Smiles: | CC1\C(=C/NCc2ccccc2)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9704 |
| logD: | 2.9698 |
| logSw: | -3.5274 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.719 |
| InChI Key: | MFTTXNVCGDNXOS-UHFFFAOYSA-N |