2-{[4-(dimethylamino)phenyl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
2-{[4-(dimethylamino)phenyl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-{[4-(dimethylamino)phenyl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-5020 |
| Compound Name: | 2-{[4-(dimethylamino)phenyl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C18 H20 N2 O4 |
| Smiles: | CN(C)c1ccc(CN2CC34C=CC(C(C3C2=O)C(O)=O)O4)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2028 |
| logD: | -1.0185 |
| logSw: | -1.9347 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.76 |
| InChI Key: | WBLRWQFVVHCCLM-UHFFFAOYSA-N |