methyl [5-oxo-1-phenyl-4-(1-{[2-(4-sulfamoylphenyl)ethyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [5-oxo-1-phenyl-4-(1-{[2-(4-sulfamoylphenyl)ethyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [5-oxo-1-phenyl-4-(1-{[2-(4-sulfamoylphenyl)ethyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8018-8290 |
| Compound Name: | methyl [5-oxo-1-phenyl-4-(1-{[2-(4-sulfamoylphenyl)ethyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | C/C(=C1\C(CC(=O)OC)=NN(C1=O)c1ccccc1)NCCc1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.961 |
| logD: | 0.9583 |
| logSw: | -2.1807 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.884 |
| InChI Key: | BLSZQFUKBDSMLM-UHFFFAOYSA-N |