2-(1,3-benzothiazol-2-yl)-4-{1-[(butan-2-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{1-[(butan-2-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{1-[(butan-2-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-5825 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{1-[(butan-2-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C17 H17 F3 N4 O S |
| Smiles: | CCC(C)NC(\C)=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1718 |
| logD: | 4.171 |
| logSw: | -4.0919 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.205 |
| InChI Key: | LMDXQDDBBRAMFE-VIFPVBQESA-N |