N-[3-(3-acetyl-1H-indol-1-yl)propanoyl]-beta-alanine
Chemical Structure Depiction of
N-[3-(3-acetyl-1H-indol-1-yl)propanoyl]-beta-alanine
N-[3-(3-acetyl-1H-indol-1-yl)propanoyl]-beta-alanine
Compound characteristics
| Compound ID: | Y044-1172 |
| Compound Name: | N-[3-(3-acetyl-1H-indol-1-yl)propanoyl]-beta-alanine |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C16 H18 N2 O4 |
| Smiles: | CC(c1cn(CCC(NCCC(O)=O)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1646 |
| logD: | -2.5311 |
| logSw: | -2.0664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.744 |
| InChI Key: | PYVRKCMPZKODIM-UHFFFAOYSA-N |