2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-5464 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 398.4 |
| Molecular Formula: | C17 H17 F3 N4 O2 S |
| Smiles: | CC/C(=C1\C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)NCCCO |
| Stereo: | ACHIRAL |
| logP: | 2.983 |
| logD: | 2.9817 |
| logSw: | -3.1676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.728 |
| InChI Key: | OAMWDXKYNCNFCU-UHFFFAOYSA-N |