4-[(4-bromo-3-nitrophenyl)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4-bromo-3-nitrophenyl)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-[(4-bromo-3-nitrophenyl)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2082-0419 |
| Compound Name: | 4-[(4-bromo-3-nitrophenyl)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 420.65 |
| Molecular Formula: | C17 H11 Br Cl N3 O3 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)[N+]([O-])=O)[Br])C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7476 |
| logD: | 4.7476 |
| logSw: | -5.1249 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.667 |
| InChI Key: | NXZFWOBQOLJUHM-UHFFFAOYSA-N |