methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)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-chloroanilino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Compound characteristics
| Compound ID: | 8015-8362 |
| Compound Name: | methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate |
| Molecular Weight: | 440.91 |
| Molecular Formula: | C21 H17 Cl N4 O3 S |
| Smiles: | C/C(=C1\C(CC(=O)OC)=NN(C1=O)c1nc2ccccc2s1)Nc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5107 |
| logD: | 4.4779 |
| logSw: | -4.6878 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.653 |
| InChI Key: | YJBKORUNAYZNEE-UHFFFAOYSA-N |