methyl {1-(1,3-benzothiazol-2-yl)-4-[(4-methylanilino)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Chemical Structure Depiction of
methyl {1-(1,3-benzothiazol-2-yl)-4-[(4-methylanilino)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
methyl {1-(1,3-benzothiazol-2-yl)-4-[(4-methylanilino)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Compound characteristics
| Compound ID: | 5742-0635 |
| Compound Name: | methyl {1-(1,3-benzothiazol-2-yl)-4-[(4-methylanilino)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1ccc(cc1)N/C=C1\C(CC(=O)OC)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0267 |
| logD: | 4.0247 |
| logSw: | -4.1682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.032 |
| InChI Key: | SGYMNXRSPTYGPV-UHFFFAOYSA-N |