{4-bromo-2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetonitrile
Chemical Structure Depiction of
{4-bromo-2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetonitrile
{4-bromo-2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetonitrile
Compound characteristics
| Compound ID: | Y510-7126 |
| Compound Name: | {4-bromo-2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetonitrile |
| Molecular Weight: | 396.24 |
| Molecular Formula: | C19 H14 Br N3 O2 |
| Smiles: | CC1/C(=C/c2cc(ccc2OCC#N)[Br])C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.787 |
| logD: | 3.787 |
| logSw: | -3.961 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.58 |
| InChI Key: | ZWHYIYULPOWPBK-UHFFFAOYSA-N |