ethyl [rel-(6R,7R,7aS)-7-{[(4-methylphenyl)methyl]carbamoyl}-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Chemical Structure Depiction of
ethyl [rel-(6R,7R,7aS)-7-{[(4-methylphenyl)methyl]carbamoyl}-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
ethyl [rel-(6R,7R,7aS)-7-{[(4-methylphenyl)methyl]carbamoyl}-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | C428-0053 |
| Compound Name: | ethyl [rel-(6R,7R,7aS)-7-{[(4-methylphenyl)methyl]carbamoyl}-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C21 H24 N2 O5 |
| Smiles: | CCOC(CN1C[C@]23C=C[C@H]([C@H](C(NCc4ccc(C)cc4)=O)[C@@H]2C1=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2979 |
| logD: | 1.2979 |
| logSw: | -2.1054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.391 |
| InChI Key: | SANJSHQAZAMVGY-HVSHLEFESA-N |