(4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-methoxyphenoxy)acetonitrile
Chemical Structure Depiction of
(4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-methoxyphenoxy)acetonitrile
(4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-methoxyphenoxy)acetonitrile
Compound characteristics
| Compound ID: | 1685-0084 |
| Compound Name: | (4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-methoxyphenoxy)acetonitrile |
| Molecular Weight: | 376.41 |
| Molecular Formula: | C21 H20 N4 O3 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C\c1ccc(c(c1)OC)OCC#N |
| Stereo: | ACHIRAL |
| logP: | 1.5351 |
| logD: | 1.5351 |
| logSw: | -1.7896 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.374 |
| InChI Key: | GQGRQFIFMHXBAK-UHFFFAOYSA-N |