4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8010-2157 |
| Compound Name: | 4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C20 H19 N3 O5 |
| Smiles: | CC1/C(=C\c2cc(c(cc2[N+]([O-])=O)OC)OC)C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2703 |
| logD: | 3.2702 |
| logSw: | -3.5591 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.928 |
| InChI Key: | IUOPNJCYHATIPY-UHFFFAOYSA-N |