2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(morpholin-4-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-(morpholin-4-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3045-0115 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 439.46 |
| Molecular Formula: | C19 H20 F3 N5 O2 S |
| Smiles: | C/C(=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)NCCN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.692 |
| logD: | 2.5719 |
| logSw: | -2.9992 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.225 |
| InChI Key: | RWCYXWGATQJRIK-UHFFFAOYSA-N |