2-(1,3-benzothiazol-2-yl)-4-[(2-methylanilino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[(2-methylanilino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[(2-methylanilino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4530 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[(2-methylanilino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 402.4 |
| Molecular Formula: | C19 H13 F3 N4 O S |
| Smiles: | Cc1ccccc1N/C=C1\C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6639 |
| logD: | 4.6544 |
| logSw: | -4.4503 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.852 |
| InChI Key: | PVVNVGTVVZZGQY-UHFFFAOYSA-N |