rel-(6R,7aS)-3-(2-methylprop-2-en-1-yl)-1-oxo-2-phenyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
rel-(6R,7aS)-3-(2-methylprop-2-en-1-yl)-1-oxo-2-phenyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
rel-(6R,7aS)-3-(2-methylprop-2-en-1-yl)-1-oxo-2-phenyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 5689-0016 |
| Compound Name: | rel-(6R,7aS)-3-(2-methylprop-2-en-1-yl)-1-oxo-2-phenyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 325.36 |
| Molecular Formula: | C19 H19 N O4 |
| Smiles: | CC(=C)CC1[C@]23C=C[C@H](C(C(O)=O)[C@@H]2C(N1c1ccccc1)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4716 |
| logD: | 0.2503 |
| logSw: | -2.501 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.316 |
| InChI Key: | IDZVBZRLNMBRMS-HPWNCTDZSA-N |