2-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2083-0012 |
| Compound Name: | 2-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 406.22 |
| Molecular Formula: | C18 H13 Cl2 N3 O4 |
| Smiles: | CC1/C(=C\c2ccc(c(c2)[N+]([O-])=O)OC)C(N(c2ccc(c(c2)[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4187 |
| logD: | 4.4187 |
| logSw: | -4.7602 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.298 |
| InChI Key: | FZFHDGUOCISJBQ-UHFFFAOYSA-N |