rel-(6R,7aS)-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
rel-(6R,7aS)-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
rel-(6R,7aS)-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | K784-3842 |
| Compound Name: | rel-(6R,7aS)-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | Cc1ccc(CN2C[C@]34C=C[C@H](C(C(O)=O)[C@@H]3C2=O)O4)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5362 |
| logD: | -0.6852 |
| logSw: | -1.8986 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.956 |
| InChI Key: | PKVCOKQSSUXSQE-LMAUJVCWSA-N |