3-{1-[2-(2-methylanilino)-2-oxoethyl]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[2-(2-methylanilino)-2-oxoethyl]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[2-(2-methylanilino)-2-oxoethyl]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
Compound ID: | D135-0109 |
Compound Name: | 3-{1-[2-(2-methylanilino)-2-oxoethyl]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid |
Molecular Weight: | 368.45 |
Molecular Formula: | C20 H20 N2 O3 S |
Smiles: | Cc1ccccc1NC(Cn1c(CCC(O)=O)ccc1c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 3.5169 |
logD: | 0.7031 |
logSw: | -3.6351 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 52.506 |
InChI Key: | QEUZALHZKQXPPQ-UHFFFAOYSA-N |