rel-(6R,7aS)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
rel-(6R,7aS)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
rel-(6R,7aS)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 5689-0204 |
| Compound Name: | rel-(6R,7aS)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 301.3 |
| Molecular Formula: | C16 H15 N O5 |
| Smiles: | COc1ccc(cc1)N1C[C@]23C=C[C@H](C(C(O)=O)[C@@H]2C1=O)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3085 |
| logD: | -0.9129 |
| logSw: | -1.9531 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.054 |
| InChI Key: | SMLSGZWTQNCHJF-RQYPDSRBSA-N |