ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 5588-0033 |
| Compound Name: | ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | CCOC(c1ccccc1N/C=C1\C(C)=NN(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5245 |
| logD: | 3.447 |
| logSw: | -3.5973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.244 |
| InChI Key: | RSPGGRDGIPGHLT-UHFFFAOYSA-N |