ethyl [rel-(6R,7aS)-7-{[(4-methoxyphenyl)methyl]carbamoyl}-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Chemical Structure Depiction of
ethyl [rel-(6R,7aS)-7-{[(4-methoxyphenyl)methyl]carbamoyl}-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
ethyl [rel-(6R,7aS)-7-{[(4-methoxyphenyl)methyl]carbamoyl}-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | C428-0065 |
| Compound Name: | ethyl [rel-(6R,7aS)-7-{[(4-methoxyphenyl)methyl]carbamoyl}-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C21 H24 N2 O6 |
| Smiles: | CCOC(CN1C[C@]23C=C[C@H](C(C(NCc4ccc(cc4)OC)=O)[C@@H]2C1=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8569 |
| logD: | 0.8569 |
| logSw: | -2.0193 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.935 |
| InChI Key: | NQAHQUNJWWTRNM-NMVAHXIRSA-N |