methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Chemical Structure Depiction of
methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Compound characteristics
| Compound ID: | 8015-6853 |
| Compound Name: | methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | C/C(=C1\C(CC(=O)OC)=NN(C1=O)c1nc2ccccc2s1)Nc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8983 |
| logD: | 3.8966 |
| logSw: | -4.151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.197 |
| InChI Key: | NJVBRKXLHFSWML-UHFFFAOYSA-N |