2-(1,3-benzothiazol-2-yl)-4-[1-({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[1-({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[1-({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4570 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[1-({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 508.56 |
| Molecular Formula: | C23 H27 F3 N6 O2 S |
| Smiles: | CC(C)C(N1CCN(CCNC(\C)=C2/C(C(F)(F)F)=NN(C2=O)c2nc3ccccc3s2)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2297 |
| logD: | 3.1291 |
| logSw: | -3.379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.044 |
| InChI Key: | JJELHJPDANNJHQ-UHFFFAOYSA-N |