4-[2-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
Chemical Structure Depiction of
4-[2-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
4-[2-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 3966-4571 |
| Compound Name: | 4-[2-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide |
| Molecular Weight: | 525.62 |
| Molecular Formula: | C22 H26 F3 N7 O S2 |
| Smiles: | CCNC(N1CCN(CCNC(\C)=C2/C(C(F)(F)F)=NN(C2=O)c2nc3ccccc3s2)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.2428 |
| logD: | 2.6216 |
| logSw: | -3.266 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.242 |
| InChI Key: | UESIZWAYAGMYSW-UHFFFAOYSA-N |