N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-(trifluoromethyl)benzamide
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | T002-4690 |
| Compound Name: | N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 352.35 |
| Molecular Formula: | C18 H19 F3 N2 O2 |
| Smiles: | CC#CC(N1CCC(CC1)CNC(c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.045 |
| logD: | 3.045 |
| logSw: | -3.3213 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.044 |
| InChI Key: | KHJDTYSARXQOPM-UHFFFAOYSA-N |