4-[(4-bromoanilino)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4-bromoanilino)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-[(4-bromoanilino)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8005-3157 |
| Compound Name: | 4-[(4-bromoanilino)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 390.66 |
| Molecular Formula: | C17 H13 Br Cl N3 O |
| Smiles: | CC1/C(=C/Nc2ccc(cc2)[Br])C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.75 |
| logD: | 4.7488 |
| logSw: | -4.7987 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.188 |
| InChI Key: | GBAJYLXGOHSYEU-UHFFFAOYSA-N |