3-[1-(2-anilino-2-oxoethyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[1-(2-anilino-2-oxoethyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]propanoic acid
3-[1-(2-anilino-2-oxoethyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
Compound ID: | D135-0101 |
Compound Name: | 3-[1-(2-anilino-2-oxoethyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]propanoic acid |
Molecular Weight: | 382.85 |
Molecular Formula: | C21 H19 Cl N2 O3 |
Smiles: | C(Cc1ccc(c2ccc(cc2)[Cl])n1CC(Nc1ccccc1)=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 4.461 |
logD: | 1.6472 |
logSw: | -4.6629 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 52.185 |
InChI Key: | CBHQLCABGPPLCT-UHFFFAOYSA-N |