3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 5790-1378 |
| Compound Name: | 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 337.44 |
| Molecular Formula: | C20 H19 N O2 S |
| Smiles: | CSc1ccccc1n1c(CCC(O)=O)ccc1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4953 |
| logD: | 1.6815 |
| logSw: | -4.1512 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.4784 |
| InChI Key: | KTZDSRRQWHXUBX-UHFFFAOYSA-N |