3-[1-(4-acetylphenyl)-5-(4-bromophenyl)-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[1-(4-acetylphenyl)-5-(4-bromophenyl)-1H-pyrrol-2-yl]propanoic acid
3-[1-(4-acetylphenyl)-5-(4-bromophenyl)-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
| Compound ID: | 6060-0141 |
| Compound Name: | 3-[1-(4-acetylphenyl)-5-(4-bromophenyl)-1H-pyrrol-2-yl]propanoic acid |
| Molecular Weight: | 412.28 |
| Molecular Formula: | C21 H18 Br N O3 |
| Smiles: | CC(c1ccc(cc1)n1c(CCC(O)=O)ccc1c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6409 |
| logD: | 1.8271 |
| logSw: | -4.3578 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.606 |
| InChI Key: | NMASCUNFMWKUCZ-UHFFFAOYSA-N |