3-{5-(4-bromophenyl)-1-[4-(ethoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{5-(4-bromophenyl)-1-[4-(ethoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
3-{5-(4-bromophenyl)-1-[4-(ethoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 5408-2370 |
| Compound Name: | 3-{5-(4-bromophenyl)-1-[4-(ethoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C22 H20 Br N O4 |
| Smiles: | CCOC(c1ccc(cc1)n1c(CCC(O)=O)ccc1c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7002 |
| logD: | 2.8864 |
| logSw: | -5.3874 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.533 |
| InChI Key: | NHVDPRSTVDGZQG-UHFFFAOYSA-N |