ethyl [rel-(6R,7R,7aS)-7-[(4-fluorophenyl)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-fluorophenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
ethyl [rel-(6R,7R,7aS)-7-[(4-fluorophenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | C428-0096 |
| Compound Name: | ethyl [rel-(6R,7R,7aS)-7-[(4-fluorophenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate |
| Molecular Weight: | 374.37 |
| Molecular Formula: | C19 H19 F N2 O5 |
| Smiles: | CCOC(CN1C[C@]23C=C[C@H]([C@H](C(Nc4ccc(cc4)F)=O)[C@@H]2C1=O)O3)=O |
| Stereo: | RELATIVE |
| logP: | 1.4227 |
| logD: | 1.4077 |
| logSw: | -2.3038 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.069 |
| InChI Key: | ACSXNRJENWSBND-DEWZPKMOSA-N |