N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2,4-difluorobenzamide
Chemical Structure Depiction of
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2,4-difluorobenzamide
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2,4-difluorobenzamide
Compound characteristics
| Compound ID: | T002-4691 |
| Compound Name: | N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2,4-difluorobenzamide |
| Molecular Weight: | 320.34 |
| Molecular Formula: | C17 H18 F2 N2 O2 |
| Smiles: | CC#CC(N1CCC(CC1)CNC(c1ccc(cc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8435 |
| logD: | 2.8435 |
| logSw: | -3.3 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.044 |
| InChI Key: | DGULAQHNBIKNLJ-UHFFFAOYSA-N |