3-{1-[2-(4-methoxyanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[2-(4-methoxyanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
3-{1-[2-(4-methoxyanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | D135-0164 |
| Compound Name: | 3-{1-[2-(4-methoxyanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C22 H22 N2 O4 |
| Smiles: | COc1ccc(cc1)NC(Cn1c(CCC(O)=O)ccc1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9354 |
| logD: | 1.1215 |
| logSw: | -4.028 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.729 |
| InChI Key: | JUOAWQDUJXKCCD-UHFFFAOYSA-N |