2-(1,3-benzothiazol-2-yl)-4-[(dimethylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[(dimethylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[(dimethylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3046-8103 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[(dimethylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 340.32 |
| Molecular Formula: | C14 H11 F3 N4 O S |
| Smiles: | CN(C)/C=C1\C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.4555 |
| logD: | 2.4553 |
| logSw: | -2.5443 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.718 |
| InChI Key: | CJZBLACDLAMRMR-UHFFFAOYSA-N |