ethyl 4-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperazine-1-carboxylate
ethyl 4-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | Y500-1041 |
| Compound Name: | ethyl 4-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperazine-1-carboxylate |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C20 H20 F3 N5 O3 S |
| Smiles: | CCOC(N1CCN(CC1)C(\C)=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7548 |
| logD: | 3.7545 |
| logSw: | -3.8046 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.011 |
| InChI Key: | IVJSQWUJXWMAAY-UHFFFAOYSA-N |