N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-fluoro-4-methylbenzamide
Chemical Structure Depiction of
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-fluoro-4-methylbenzamide
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-fluoro-4-methylbenzamide
Compound characteristics
| Compound ID: | T002-4716 |
| Compound Name: | N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-3-fluoro-4-methylbenzamide |
| Molecular Weight: | 316.37 |
| Molecular Formula: | C18 H21 F N2 O2 |
| Smiles: | CC#CC(N1CCC(CC1)CNC(c1ccc(C)c(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9111 |
| logD: | 2.9111 |
| logSw: | -3.1747 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.044 |
| InChI Key: | JWSNIEWNIUEMAN-UHFFFAOYSA-N |