methyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}benzoate
methyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}benzoate
Compound characteristics
| Compound ID: | 1685-0043 |
| Compound Name: | methyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}benzoate |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C\c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3991 |
| logD: | 2.3991 |
| logSw: | -2.3289 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.921 |
| InChI Key: | YUVWUDYOCLALBQ-UHFFFAOYSA-N |