N-[2-(5-bromo-1H-indol-1-yl)ethyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N-[2-(5-bromo-1H-indol-1-yl)ethyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
N-[2-(5-bromo-1H-indol-1-yl)ethyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y041-7171 |
| Compound Name: | N-[2-(5-bromo-1H-indol-1-yl)ethyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide |
| Molecular Weight: | 388.26 |
| Molecular Formula: | C17 H18 Br N5 O |
| Smiles: | C(CNc1ncccn1)C(NCCn1ccc2cc(ccc12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7349 |
| logD: | 1.7349 |
| logSw: | -2.2036 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.286 |
| InChI Key: | YBHJXFHKIMYIMQ-UHFFFAOYSA-N |