4-[{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}(2-phenylethyl)amino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}(2-phenylethyl)amino]-4-oxobutanoic acid
4-[{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}(2-phenylethyl)amino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8015-1180 |
| Compound Name: | 4-[{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}(2-phenylethyl)amino]-4-oxobutanoic acid |
| Molecular Weight: | 400.47 |
| Molecular Formula: | C22 H28 N2 O5 |
| Smiles: | [H]n1c(C)c(CN(CCc2ccccc2)C(CCC(O)=O)=O)c(C)c1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.5532 |
| logD: | -0.3963 |
| logSw: | -2.4939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.019 |
| InChI Key: | ASEIPTJQVIMPFX-UHFFFAOYSA-N |