rel-(6R,7R,7aS)-N-[(4-fluorophenyl)methyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7R,7aS)-N-[(4-fluorophenyl)methyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-N-[(4-fluorophenyl)methyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C123-0164 |
| Compound Name: | rel-(6R,7R,7aS)-N-[(4-fluorophenyl)methyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 398.45 |
| Molecular Formula: | C21 H19 F N2 O3 S |
| Smiles: | C(c1ccc(cc1)F)NC([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C([C@H]13)=O)O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.129 |
| logD: | 2.1288 |
| logSw: | -2.6265 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.979 |
| InChI Key: | VTHPLPGBZOZQLE-WKRCXCSHSA-N |