N-[1-(but-2-ynoyl)piperidin-3-yl]-5-chloro-2-methoxybenzamide
Chemical Structure Depiction of
N-[1-(but-2-ynoyl)piperidin-3-yl]-5-chloro-2-methoxybenzamide
N-[1-(but-2-ynoyl)piperidin-3-yl]-5-chloro-2-methoxybenzamide
Compound characteristics
| Compound ID: | T002-2387 |
| Compound Name: | N-[1-(but-2-ynoyl)piperidin-3-yl]-5-chloro-2-methoxybenzamide |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C17 H19 Cl N2 O3 |
| Smiles: | CC#CC(N1CCCC(C1)NC(c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8854 |
| logD: | 2.8853 |
| logSw: | -3.5436 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.141 |
| InChI Key: | WOHMKIKTNDEMBC-ZDUSSCGKSA-N |