2-(3-chlorophenyl)-4-[(2-methoxy-4-nitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-4-[(2-methoxy-4-nitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3-chlorophenyl)-4-[(2-methoxy-4-nitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8001-1841 |
| Compound Name: | 2-(3-chlorophenyl)-4-[(2-methoxy-4-nitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 386.79 |
| Molecular Formula: | C18 H15 Cl N4 O4 |
| Smiles: | CC1\C(=C/Nc2ccc(cc2OC)[N+]([O-])=O)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8279 |
| logD: | 3.6307 |
| logSw: | -4.2515 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.502 |
| InChI Key: | YIOJYQDWEVBMMC-XNTDXEJSSA-N |