{2-methoxy-6-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetonitrile
Chemical Structure Depiction of
{2-methoxy-6-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetonitrile
{2-methoxy-6-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetonitrile
Compound characteristics
Compound ID: | Y508-0252 |
Compound Name: | {2-methoxy-6-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetonitrile |
Molecular Weight: | 347.37 |
Molecular Formula: | C20 H17 N3 O3 |
Smiles: | CC1/C(=C\c2cccc(c2OCC#N)OC)C(N(c2ccccc2)N=1)=O |
Stereo: | ACHIRAL |
logP: | 2.7004 |
logD: | 2.7004 |
logSw: | -3.0329 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 58.3 |
InChI Key: | MOPVCGYUKDWTMJ-UHFFFAOYSA-N |