6-[2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(3-phenylprop-2-enoyl)-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Chemical Structure Depiction of
6-[2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(3-phenylprop-2-enoyl)-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
6-[2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(3-phenylprop-2-enoyl)-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Compound characteristics
| Compound ID: | 4393-0097 |
| Compound Name: | 6-[2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(3-phenylprop-2-enoyl)-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C27 H29 N O7 |
| Smiles: | COc1ccc(c(c1)C1C(=C(C(N1CCCCCC(O)=O)=O)O)C(/C=C/c1ccccc1)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.537 |
| logD: | 0.7088 |
| logSw: | -3.6883 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.143 |
| InChI Key: | ZMHBHNQTWAGBPC-VWLOTQADSA-N |