2-(5-chloro-2,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
2-(5-chloro-2,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-(5-chloro-2,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-5014 |
| Compound Name: | 2-(5-chloro-2,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 365.77 |
| Molecular Formula: | C17 H16 Cl N O6 |
| Smiles: | COc1cc(c(cc1N1CC23C=CC(C(C2C1=O)C(O)=O)O3)[Cl])OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0396 |
| logD: | -0.1818 |
| logSw: | -2.5216 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.47 |
| InChI Key: | AFQKCAKHRSIRMH-UHFFFAOYSA-N |