4-({5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-({5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5512-0093 |
| Compound Name: | 4-({5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 411.3 |
| Molecular Formula: | C21 H19 Br N2 O2 |
| Smiles: | CC(=C)COc1ccc(cc1/C=C1/C(C)=NN(C1=O)c1ccccc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4754 |
| logD: | 5.4754 |
| logSw: | -5.4782 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.173 |
| InChI Key: | IUBKJKNYQQPXPB-UHFFFAOYSA-N |