rel-(6R,7aS)-N-[(4-methoxyphenyl)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,7aS)-N-[(4-methoxyphenyl)methyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7aS)-N-[(4-methoxyphenyl)methyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C123-0155 |
| Compound Name: | rel-(6R,7aS)-N-[(4-methoxyphenyl)methyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | COc1ccc(CNC(C2[C@@H]3C=C[C@@]4(CN(Cc5cccs5)C([C@H]24)=O)O3)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0823 |
| logD: | 2.0823 |
| logSw: | -2.6234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.523 |
| InChI Key: | LYKQJNPSKUFVHA-JTOBOTFSSA-N |