3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | D135-0119 |
| Compound Name: | 3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | COc1ccc(c(c1)NC(Cn1c(CCC(O)=O)ccc1c1cccs1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4055 |
| logD: | 0.5916 |
| logSw: | -3.8171 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.68 |
| InChI Key: | SKJNFSFQLFOUKF-UHFFFAOYSA-N |