methyl N-[(5-bromo-1H-indol-1-yl)acetyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[(5-bromo-1H-indol-1-yl)acetyl]-beta-alaninate
methyl N-[(5-bromo-1H-indol-1-yl)acetyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-4270 |
| Compound Name: | methyl N-[(5-bromo-1H-indol-1-yl)acetyl]-beta-alaninate |
| Molecular Weight: | 339.19 |
| Molecular Formula: | C14 H15 Br N2 O3 |
| Smiles: | COC(CCNC(Cn1ccc2cc(ccc12)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9163 |
| logD: | 1.9163 |
| logSw: | -2.8145 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.241 |
| InChI Key: | HUIIFCNDBLMPCC-UHFFFAOYSA-N |