3-[1-(2-bromobenzamido)-5-phenyl-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[1-(2-bromobenzamido)-5-phenyl-1H-pyrrol-2-yl]propanoic acid
3-[1-(2-bromobenzamido)-5-phenyl-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
| Compound ID: | 5637-0003 |
| Compound Name: | 3-[1-(2-bromobenzamido)-5-phenyl-1H-pyrrol-2-yl]propanoic acid |
| Molecular Weight: | 413.27 |
| Molecular Formula: | C20 H17 Br N2 O3 |
| Smiles: | C(Cc1ccc(c2ccccc2)n1NC(c1ccccc1[Br])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6351 |
| logD: | 0.8213 |
| logSw: | -3.9333 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.386 |
| InChI Key: | PVBASYQNBXORQO-UHFFFAOYSA-N |