3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1,2,3-benzotriazin-4(3H)-one
3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-8693 |
| Compound Name: | 3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 417.39 |
| Molecular Formula: | C20 H18 F3 N5 O2 |
| Smiles: | C1CN(CCN1C(CN1C(c2ccccc2N=N1)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.8219 |
| logD: | 2.8219 |
| logSw: | -3.6576 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.585 |
| InChI Key: | CKMFOUBLVVOMAU-UHFFFAOYSA-N |