2-(4-acetamidophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
2-(4-acetamidophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-(4-acetamidophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8018-5433 |
| Compound Name: | 2-(4-acetamidophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C17 H16 N2 O5 |
| Smiles: | CC(Nc1ccc(cc1)N1CC23C=CC(C(C2C1=O)C(O)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.5273 |
| logD: | -1.6941 |
| logSw: | -1.7097 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.772 |
| InChI Key: | VWVXWMBAXJBMSV-UHFFFAOYSA-N |