3-bromo-N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}benzamide
Chemical Structure Depiction of
3-bromo-N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}benzamide
3-bromo-N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}benzamide
Compound characteristics
| Compound ID: | T002-4688 |
| Compound Name: | 3-bromo-N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}benzamide |
| Molecular Weight: | 363.25 |
| Molecular Formula: | C17 H19 Br N2 O2 |
| Smiles: | CC#CC(N1CCC(CC1)CNC(c1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0904 |
| logD: | 3.0904 |
| logSw: | -3.2932 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.044 |
| InChI Key: | DFMUWZRLCQPMPZ-UHFFFAOYSA-N |