2-(4-bromophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-bromophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(4-bromophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2083-1663 |
| Compound Name: | 2-(4-bromophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 432.23 |
| Molecular Formula: | C18 H14 Br N3 O5 |
| Smiles: | CC1/C(=C\c2cc(c(c(c2)OC)O)[N+]([O-])=O)C(N(c2ccc(cc2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9612 |
| logD: | 2.8873 |
| logSw: | -4.0697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.777 |
| InChI Key: | XAXYPCRUXJXEOY-UHFFFAOYSA-N |