2-(3,4-dichlorophenyl)-5-methyl-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3,4-dichlorophenyl)-5-methyl-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(3,4-dichlorophenyl)-5-methyl-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2000-0045 |
| Compound Name: | 2-(3,4-dichlorophenyl)-5-methyl-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 376.2 |
| Molecular Formula: | C17 H11 Cl2 N3 O3 |
| Smiles: | CC1/C(=C/c2cccc(c2)[N+]([O-])=O)C(N(c2ccc(c(c2)[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7394 |
| logD: | 4.7394 |
| logSw: | -5.0241 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.968 |
| InChI Key: | VXUHNUSAQAZSMP-UHFFFAOYSA-N |