2-(1,3-benzothiazol-2-yl)-4-{[(2-methoxyethyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{[(2-methoxyethyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{[(2-methoxyethyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-0502 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{[(2-methoxyethyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 370.35 |
| Molecular Formula: | C15 H13 F3 N4 O2 S |
| Smiles: | COCCN/C=C1\C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.1644 |
| logD: | 2.1642 |
| logSw: | -2.5895 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.537 |
| InChI Key: | IGCSLMZTQIJQTB-UHFFFAOYSA-N |