5-([2-(3,4-dimethoxyphenyl)ethyl]{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}amino)-5-oxopentanoic acid
Chemical Structure Depiction of
5-([2-(3,4-dimethoxyphenyl)ethyl]{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}amino)-5-oxopentanoic acid
5-([2-(3,4-dimethoxyphenyl)ethyl]{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}amino)-5-oxopentanoic acid
Compound characteristics
| Compound ID: | 8015-1181 |
| Compound Name: | 5-([2-(3,4-dimethoxyphenyl)ethyl]{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}amino)-5-oxopentanoic acid |
| Molecular Weight: | 474.55 |
| Molecular Formula: | C25 H34 N2 O7 |
| Smiles: | [H]n1c(C)c(CN(CCc2ccc(c(c2)OC)OC)C(CCCC(O)=O)=O)c(C)c1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.2234 |
| logD: | -0.3738 |
| logSw: | -2.6117 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.28 |
| InChI Key: | YXLXAPQWXUIWRP-UHFFFAOYSA-N |