N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)but-2-ynamide
Chemical Structure Depiction of
N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)but-2-ynamide
N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)but-2-ynamide
Compound characteristics
| Compound ID: | T001-2023 |
| Compound Name: | N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)but-2-ynamide |
| Molecular Weight: | 339.36 |
| Molecular Formula: | C17 H20 F3 N3 O |
| Smiles: | CC#CC(NCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6476 |
| logD: | 2.6318 |
| logSw: | -3.0018 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.794 |
| InChI Key: | KDSTXFUOVFZTQW-UHFFFAOYSA-N |