2-(1,3-benzothiazol-2-yl)-4-[1-(morpholin-4-yl)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[1-(morpholin-4-yl)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[1-(morpholin-4-yl)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-1034 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[1-(morpholin-4-yl)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 410.42 |
| Molecular Formula: | C18 H17 F3 N4 O2 S |
| Smiles: | CC/C(=C1\C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.5331 |
| logD: | 3.5327 |
| logSw: | -3.4829 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.723 |
| InChI Key: | WSOBZMIJPUBMNX-UHFFFAOYSA-N |