2-[4-(but-2-ynoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[4-(but-2-ynoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
2-[4-(but-2-ynoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | T001-1521 |
| Compound Name: | 2-[4-(but-2-ynoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 313.4 |
| Molecular Formula: | C18 H23 N3 O2 |
| Smiles: | CC#CC(N1CCN(CC1)CC(Nc1c(C)cccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1938 |
| logD: | 2.1937 |
| logSw: | -2.4223 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.925 |
| InChI Key: | YVXFWLRFSRPIAU-UHFFFAOYSA-N |