2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-benzoylpiperazin-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-benzoylpiperazin-1-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-benzoylpiperazin-1-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4572 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-benzoylpiperazin-1-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 542.58 |
| Molecular Formula: | C26 H25 F3 N6 O2 S |
| Smiles: | C/C(=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)NCCN1CCN(CC1)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4734 |
| logD: | 3.4291 |
| logSw: | -3.6261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.773 |
| InChI Key: | ZITLIDFQXOGZKH-UHFFFAOYSA-N |