4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5784-0361 |
| Compound Name: | 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 415.29 |
| Molecular Formula: | C20 H19 Br N2 O3 |
| Smiles: | CCCC1/C(=C\c2cc(c(c(c2)[Br])O)OC)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3311 |
| logD: | 4.2532 |
| logSw: | -4.2535 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.427 |
| InChI Key: | DSCZULPEOTUPDS-UHFFFAOYSA-N |