methyl 4-({[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
methyl 4-({[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Compound characteristics
| Compound ID: | Y508-2242 |
| Compound Name: | methyl 4-({[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate |
| Molecular Weight: | 369.81 |
| Molecular Formula: | C19 H16 Cl N3 O3 |
| Smiles: | CC1/C(=C/Nc2ccc(cc2)C(=O)OC)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0068 |
| logD: | 4.0063 |
| logSw: | -4.4457 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.362 |
| InChI Key: | KRQBZSHPIYCRIY-UHFFFAOYSA-N |