3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | D135-0117 |
| Compound Name: | 3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C23 H24 N2 O5 |
| Smiles: | COc1ccc(c(c1)NC(Cn1c(CCC(O)=O)ccc1c1ccccc1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6364 |
| logD: | 0.8226 |
| logSw: | -4.0561 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.662 |
| InChI Key: | VIZBBHFFDPRVPY-UHFFFAOYSA-N |