2-(3-chlorophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3-chlorophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2082-0445 |
| Compound Name: | 2-(3-chlorophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 401.8 |
| Molecular Formula: | C19 H16 Cl N3 O5 |
| Smiles: | CC1/C(=C/c2cc(c(cc2[N+]([O-])=O)OC)OC)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4912 |
| logD: | 3.4912 |
| logSw: | -3.7937 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.928 |
| InChI Key: | WVEMYUSXOCJMQS-UHFFFAOYSA-N |