(2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenoxy)acetonitrile
Chemical Structure Depiction of
(2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenoxy)acetonitrile
(2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenoxy)acetonitrile
Compound characteristics
| Compound ID: | 1685-0071 |
| Compound Name: | (2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenoxy)acetonitrile |
| Molecular Weight: | 346.39 |
| Molecular Formula: | C20 H18 N4 O2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C\c1ccccc1OCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.2061 |
| logD: | 2.2061 |
| logSw: | -2.3695 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.743 |
| InChI Key: | FOTSDENJMHBKQL-HMAPJEAMSA-N |