2-(1,3-benzothiazol-2-yl)-4-[1-(3,5-dimethoxyanilino)ethylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[1-(3,5-dimethoxyanilino)ethylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[1-(3,5-dimethoxyanilino)ethylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4779-0075 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[1-(3,5-dimethoxyanilino)ethylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | C/C(=C1\C(C)=NN(C1=O)c1nc2ccccc2s1)Nc1cc(cc(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5818 |
| logD: | 4.4971 |
| logSw: | -4.4741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.431 |
| InChI Key: | JFKZKAQEKXUEDO-UHFFFAOYSA-N |