2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylprop-2-en-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylprop-2-en-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylprop-2-en-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-0752 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylprop-2-en-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C23 H27 N O6 |
| Smiles: | CC(=C)CC1C23C=CC(C(C2C(N1CCc1ccc(c(c1)OC)OC)=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.605 |
| logD: | 0.3836 |
| logSw: | -2.5645 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.167 |
| InChI Key: | YVNOQYLCFXZBIS-UHFFFAOYSA-N |