3-{1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-5-(4-methoxyphenyl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-5-(4-methoxyphenyl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-5-(4-methoxyphenyl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | D135-0138 |
| Compound Name: | 3-{1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-5-(4-methoxyphenyl)-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 442.9 |
| Molecular Formula: | C23 H23 Cl N2 O5 |
| Smiles: | COc1ccc(cc1)c1ccc(CCC(O)=O)n1CC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.551 |
| logD: | 1.7372 |
| logSw: | -4.4408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.36 |
| InChI Key: | XKFWIBNAIVQYPI-UHFFFAOYSA-N |