3-{1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
3-{1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | D135-0131 |
| Compound Name: | 3-{1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 396.87 |
| Molecular Formula: | C22 H21 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1[Cl])NC(Cn1c(CCC(O)=O)ccc1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3432 |
| logD: | 2.5294 |
| logSw: | -5.5255 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.185 |
| InChI Key: | JGTYROZYHOVUNP-UHFFFAOYSA-N |