N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-5-chloro-2-methoxybenzamide
Chemical Structure Depiction of
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-5-chloro-2-methoxybenzamide
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-5-chloro-2-methoxybenzamide
Compound characteristics
| Compound ID: | T002-4696 |
| Compound Name: | N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-5-chloro-2-methoxybenzamide |
| Molecular Weight: | 348.83 |
| Molecular Formula: | C18 H21 Cl N2 O3 |
| Smiles: | CC#CC(N1CCC(CC1)CNC(c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.203 |
| logD: | 3.2029 |
| logSw: | -3.5973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.675 |
| InChI Key: | UVKWOUVJGYIQER-UHFFFAOYSA-N |